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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.66
Van der Waals volume 667.24
Polar Surface Area 120.12
Van der Waals Surface Area 1067.45
Refractivity 203.4

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ELEMENTAL PROPERTIESExact Mass 720.389
Isotope Formula C43H52N4O6
Dot Disconnected Formula C43H52N4O6
Dot Disconnected Isotope Formula C43H52N4O6
Composition C (71.64%), H (7.27%), N (7.77%), O (13.32%)
Isotope Composition C (71.64%), H (7.27%), N (7.77%), O (13.32%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count105
Aliphatic Atom Count 35
Aliphatic Bond Count 42
Aromatic Bond Count 20
Asymmetric Atom Count 10
Bond Count 114
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 10
Ring Atom Count 38
Ring Bond Count 46
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 4
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 4
Fused Ring Count 10
Hetero Ring Count 8
Heteroaliphatic Ring Count 6
Heteroaromatic Ring Count 2
Largest Ring Size 7
Largest Ring System Size 5
Ring Count 10
Smallest Ring Size 5
Smallest Ring System Size 5

 






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