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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.16
Van der Waals volume 638.86
Polar Surface Area 155.28
Van der Waals Surface Area 1058.12
Refractivity 169.84

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ELEMENTAL PROPERTIESExact Mass 662.403
Isotope Formula C37H58O10
Dot Disconnected Formula C37H58O10
Dot Disconnected Isotope Formula C37H58O10
Composition C (67.04%), H (8.82%), O (24.14%)
Isotope Composition C (67.04%), H (8.82%), O (24.14%)
Donor Sites 4
Donor Count 4
Acceptor Sites 11
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count105
Aliphatic Atom Count 47
Aliphatic Bond Count 53
Aromatic Bond Count 0
Asymmetric Atom Count 16
Bond Count 111
Chain Atom Count 20
Chain Bond Count 22
Chiral Center Count 16
Ring Atom Count 27
Ring Bond Count 31
Rotatable Bond Count 8
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 3
Smallest Ring System Size 1

 






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