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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5
Van der Waals volume 551.1
Polar Surface Area 134.66
Van der Waals Surface Area 858
Refractivity 155.78

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ELEMENTAL PROPERTIESExact Mass 596.262
Isotope Formula C33H40O10
Dot Disconnected Formula C33H40O10
Dot Disconnected Isotope Formula C33H40O10
Composition C (66.43%), H (6.76%), O (26.81%)
Isotope Composition C (66.43%), H (6.76%), O (26.81%)
Donor Sites 1
Donor Count 1
Acceptor Sites 10
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count83
Aliphatic Atom Count 37
Aliphatic Bond Count 40
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 86
Chain Atom Count 24
Chain Bond Count 25
Chiral Center Count 8
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 12
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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