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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.39
Van der Waals volume 616.72
Polar Surface Area 178.53
Van der Waals Surface Area 997.72
Refractivity 162.86

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ELEMENTAL PROPERTIESExact Mass 652.382
Isotope Formula C35H56O11
Dot Disconnected Formula C35H56O11
Dot Disconnected Isotope Formula C35H56O11
Composition C (64.39%), H (8.65%), O (26.96%)
Isotope Composition C (64.39%), H (8.65%), O (26.96%)
Donor Sites 7
Donor Count 7
Acceptor Sites 11
Acceptor Count 11


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TOPOLOGICAL PROPERTIESAtom Count102
Aliphatic Atom Count 46
Aliphatic Bond Count 53
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 109
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 18
Ring Atom Count 30
Ring Bond Count 36
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 7
Fused Aromatic Ring Count 0
Fused Ring Count 7
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 7
Ring Count 8
Smallest Ring Size 3
Smallest Ring System Size 1

 






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