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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.85
Van der Waals volume 383.68
Polar Surface Area 92.68
Van der Waals Surface Area 629.16
Refractivity 110.95

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ELEMENTAL PROPERTIESExact Mass 430.163
Isotope Formula C23H26O8
Dot Disconnected Formula C23H26O8
Dot Disconnected Isotope Formula C23H26O8
Composition C (64.18%), H (6.09%), O (29.74%)
Isotope Composition C (64.18%), H (6.09%), O (29.74%)
Donor Sites 1
Donor Count 1
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 19
Aliphatic Bond Count 22
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 60
Chain Atom Count 11
Chain Bond Count 13
Chiral Center Count 2
Ring Atom Count 20
Ring Bond Count 21
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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