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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.18
Van der Waals volume 1085.72
Polar Surface Area 364.29
Van der Waals Surface Area 1659.15
Refractivity 295.14

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ELEMENTAL PROPERTIESExact Mass 1165.6
Isotope Formula C59H91NO22
Dot Disconnected Formula C59H91NO22
Dot Disconnected Isotope Formula C59H91NO22
Composition C (60.76%), H (7.86%), N (1.2%), O (30.18%)
Isotope Composition C (60.76%), H (7.86%), N (1.2%), O (30.18%)
Donor Sites 11
Donor Count 11
Acceptor Sites 26
Acceptor Count 21


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TOPOLOGICAL PROPERTIESAtom Count173
Aliphatic Atom Count 82
Aliphatic Bond Count 90
Aromatic Bond Count 0
Asymmetric Atom Count 25
Bond Count 181
Chain Atom Count 28
Chain Bond Count 28
Chiral Center Count 25
Ring Atom Count 54
Ring Bond Count 62
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 9
Aromatic Ring Count 0
Carbo Ring Count 6
Carboaliphatic Ring Count 6
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 9
Fused Aromatic Ring Count 0
Fused Ring Count 9
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 32
Largest Ring System Size 9
Ring Count 9
Smallest Ring Size 6
Smallest Ring System Size 9

 






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