NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.42
Van der Waals volume 21.31
Polar Surface Area 518.61
Van der Waals Surface Area 1394.8
Refractivity 257.81

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ELEMENTAL PROPERTIESExact Mass 1427.27
Isotope Formula C39H55N20O21P3Pt
Dot Disconnected Formula C39H48N17O21P3.H3N.H2N.H2N.Pt
Dot Disconnected Isotope Formula C39H48N17O21P3.H3N.H2N.H2N.Pt
Composition C (32.8%), H (3.88%), N (19.62%), O (23.53%), P (6.51%), Pt (13.66%)
Isotope Composition C (32.8%), H (3.88%), N (19.62%), O (23.53%), P (6.51%), Pt (13.66%)
Donor Sites 13
Donor Count 10
Acceptor Sites 33
Acceptor Count 27


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TOPOLOGICAL PROPERTIESAtom Count139
Aliphatic Atom Count 51
Aliphatic Bond Count 54
Aromatic Bond Count 36
Asymmetric Atom Count 15
Bond Count 145
Chain Atom Count 31
Chain Bond Count 34
Chiral Center Count 15
Ring Atom Count 53
Ring Bond Count 56
Rotatable Bond Count 19
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 7
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 6
Fused Ring Count 6
Hetero Ring Count 11
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 7
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 11
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.