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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.05
Van der Waals volume 557.35
Polar Surface Area 140.98
Van der Waals Surface Area 903.29
Refractivity 149.96

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ELEMENTAL PROPERTIESExact Mass 592.325
Isotope Formula C32H48O10
Dot Disconnected Formula C32H48O10
Dot Disconnected Isotope Formula C32H48O10
Composition C (64.84%), H (8.16%), O (26.99%)
Isotope Composition C (64.84%), H (8.16%), O (26.99%)
Donor Sites 3
Donor Count 3
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count90
Aliphatic Atom Count 42
Aliphatic Bond Count 47
Aromatic Bond Count 0
Asymmetric Atom Count 14
Bond Count 95
Chain Atom Count 14
Chain Bond Count 16
Chiral Center Count 14
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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