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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -2.32
Van der Waals volume 371.2
Polar Surface Area 175.37
Van der Waals Surface Area 579.15
Refractivity 97.26

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ELEMENTAL PROPERTIESExact Mass 430.148
Isotope Formula C19H26O11
Dot Disconnected Formula C19H26O11
Dot Disconnected Isotope Formula C19H26O11
Composition C (53.02%), H (6.09%), O (40.89%)
Isotope Composition C (53.02%), H (6.09%), O (40.89%)
Donor Sites 6
Donor Count 6
Acceptor Sites 12
Acceptor Count 11


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 24
Aliphatic Bond Count 26
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 58
Chain Atom Count 13
Chain Bond Count 15
Chiral Center Count 8
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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