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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.22
Van der Waals volume 716.46
Polar Surface Area 215.83
Van der Waals Surface Area 1142.18
Refractivity 189.54

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ELEMENTAL PROPERTIESExact Mass 752.435
Isotope Formula C40H64O13
Dot Disconnected Formula C40H64O13
Dot Disconnected Isotope Formula C40H64O13
Composition C (63.81%), H (8.57%), O (27.62%)
Isotope Composition C (63.81%), H (8.57%), O (27.62%)
Donor Sites 8
Donor Count 8
Acceptor Sites 14
Acceptor Count 13


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TOPOLOGICAL PROPERTIESAtom Count117
Aliphatic Atom Count 53
Aliphatic Bond Count 59
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 123
Chain Atom Count 19
Chain Bond Count 21
Chiral Center Count 18
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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