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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.99
Van der Waals volume 418.2
Polar Surface Area 114.68
Van der Waals Surface Area 653.85
Refractivity 127.36

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ELEMENTAL PROPERTIESExact Mass 468.178
Isotope Formula C26H28O8
Dot Disconnected Formula C26H28O8
Dot Disconnected Isotope Formula C26H28O8
Composition C (66.66%), H (6.02%), O (27.32%)
Isotope Composition C (66.66%), H (6.02%), O (27.32%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count62
Aliphatic Atom Count 18
Aliphatic Bond Count 20
Aromatic Bond Count 17
Asymmetric Atom Count 1
Bond Count 65
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 1
Ring Atom Count 19
Ring Bond Count 22
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 7
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 4

 






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