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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.5
Van der Waals volume 626.25
Polar Surface Area 197.63
Van der Waals Surface Area 859.51
Refractivity 165.81

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ELEMENTAL PROPERTIESExact Mass 702.289
Isotope Formula C36H46O14
Dot Disconnected Formula C36H46O14
Dot Disconnected Isotope Formula C36H46O14
Composition C (61.53%), H (6.6%), O (31.87%)
Isotope Composition C (61.53%), H (6.6%), O (31.87%)
Donor Sites 2
Donor Count 2
Acceptor Sites 14
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count96
Aliphatic Atom Count 45
Aliphatic Bond Count 51
Aromatic Bond Count 5
Asymmetric Atom Count 15
Bond Count 102
Chain Atom Count 24
Chain Bond Count 25
Chiral Center Count 15
Ring Atom Count 26
Ring Bond Count 31
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 1
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 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 7
Smallest Ring Size 3
Smallest Ring System Size 1

 






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