NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.4
Van der Waals volume 748.31
Polar Surface Area 207.99
Van der Waals Surface Area 1205.51
Refractivity 198.31

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ELEMENTAL PROPERTIESExact Mass 780.466
Isotope Formula C42H68O13
Dot Disconnected Formula C42H68O13
Dot Disconnected Isotope Formula C42H68O13
Composition C (64.59%), H (8.78%), O (26.63%)
Isotope Composition C (64.59%), H (8.78%), O (26.63%)
Donor Sites 8
Donor Count 8
Acceptor Sites 13
Acceptor Count 13


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TOPOLOGICAL PROPERTIESAtom Count123
Aliphatic Atom Count 55
Aliphatic Bond Count 62
Aromatic Bond Count 0
Asymmetric Atom Count 21
Bond Count 130
Chain Atom Count 19
Chain Bond Count 21
Chiral Center Count 21
Ring Atom Count 36
Ring Bond Count 41
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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