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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.26
Van der Waals volume 329.2
Polar Surface Area 96.22
Van der Waals Surface Area 455.91
Refractivity 89.47

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ELEMENTAL PROPERTIESExact Mass 362.173
Isotope Formula C20H26O6
Dot Disconnected Formula C20H26O6
Dot Disconnected Isotope Formula C20H26O6
Composition C (66.28%), H (7.23%), O (26.49%)
Isotope Composition C (66.28%), H (7.23%), O (26.49%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 26
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 57
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 10
Ring Atom Count 19
Ring Bond Count 24
Rotatable Bond Count 0
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 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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