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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.25
Van der Waals volume 573.45
Polar Surface Area 147.8
Van der Waals Surface Area 952.65
Refractivity 151.57

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ELEMENTAL PROPERTIESExact Mass 606.304
Isotope Formula C32H46O11
Dot Disconnected Formula C32H46O11
Dot Disconnected Isotope Formula C32H46O11
Composition C (63.35%), H (7.64%), O (29.01%)
Isotope Composition C (63.35%), H (7.64%), O (29.01%)
Donor Sites 1
Donor Count 1
Acceptor Sites 10
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count89
Aliphatic Atom Count 38
Aliphatic Bond Count 41
Aromatic Bond Count 5
Asymmetric Atom Count 9
Bond Count 92
Chain Atom Count 26
Chain Bond Count 27
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 19
Rotatable Bond Count 14
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
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.