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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.17
Van der Waals volume 340.91
Polar Surface Area 89.9
Van der Waals Surface Area 525.17
Refractivity 96.52

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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 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 26
Aliphatic Bond Count 27
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 53
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 5
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 5
Stereo Double Bond Count 2
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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