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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.39
Van der Waals volume 724.06
Polar Surface Area 245.29
Van der Waals Surface Area 1126.37
Refractivity 193.64

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ELEMENTAL PROPERTIESExact Mass 782.409
Isotope Formula C40H62O15
Dot Disconnected Formula C40H62O15
Dot Disconnected Isotope Formula C40H62O15
Composition C (61.36%), H (7.98%), O (30.65%)
Isotope Composition C (61.36%), H (7.98%), O (30.65%)
Donor Sites 9
Donor Count 9
Acceptor Sites 15
Acceptor Count 14


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TOPOLOGICAL PROPERTIESAtom Count117
Aliphatic Atom Count 55
Aliphatic Bond Count 61
Aromatic Bond Count 0
Asymmetric Atom Count 20
Bond Count 123
Chain Atom Count 20
Chain Bond Count 23
Chiral Center Count 20
Ring Atom Count 35
Ring Bond Count 38
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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