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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.15
Van der Waals volume 644.3
Polar Surface Area 110.38
Van der Waals Surface Area 1061.27
Refractivity 178.43

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ELEMENTAL PROPERTIESExact Mass 626.455
Isotope Formula C39H62O6
Dot Disconnected Formula C39H62O6
Dot Disconnected Isotope Formula C39H62O6
Composition C (74.72%), H (9.97%), O (15.31%)
Isotope Composition C (74.72%), H (9.97%), O (15.31%)
Donor Sites 5
Donor Count 5
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count107
Aliphatic Atom Count 39
Aliphatic Bond Count 44
Aromatic Bond Count 6
Asymmetric Atom Count 11
Bond Count 112
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 11
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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