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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.99
Van der Waals volume 497.1
Polar Surface Area 252.36
Van der Waals Surface Area 753.72
Refractivity 146.42

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ELEMENTAL PROPERTIESExact Mass 595.166
Isotope Formula C27H31O15
Dot Disconnected Formula C27H31O15
Dot Disconnected Isotope Formula C27H31O15
Composition C (54.45%), H (5.25%), O (40.3%)
Isotope Composition C (54.45%), H (5.25%), O (40.3%)
Donor Sites 10
Donor Count 10
Acceptor Sites 14
Acceptor Count 14


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TOPOLOGICAL PROPERTIESAtom Count73
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 17
Asymmetric Atom Count 10
Bond Count 77
Chain Atom Count 14
Chain Bond Count 17
Chiral Center Count 10
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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