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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.22
Van der Waals volume 1218.2
Polar Surface Area 465.42
Van der Waals Surface Area 1917.2
Refractivity 312.53

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ELEMENTAL PROPERTIESExact Mass 1348.63
Isotope Formula C64H100O30
Dot Disconnected Formula C64H100O30
Dot Disconnected Isotope Formula C64H100O30
Composition C (56.96%), H (7.47%), O (35.57%)
Isotope Composition C (56.96%), H (7.47%), O (35.57%)
Donor Sites 15
Donor Count 15
Acceptor Sites 30
Acceptor Count 27


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TOPOLOGICAL PROPERTIESAtom Count194
Aliphatic Atom Count 94
Aliphatic Bond Count 104
Aromatic Bond Count 0
Asymmetric Atom Count 34
Bond Count 204
Chain Atom Count 30
Chain Bond Count 31
Chiral Center Count 34
Ring Atom Count 64
Ring Bond Count 73
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 11
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 10
Fused Aromatic Ring Count 0
Fused Ring Count 10
Hetero Ring Count 6
Heteroaliphatic Ring Count 6
Heteroaromatic Ring Count 0
Largest Ring Size 34
Largest Ring System Size 10
Ring Count 11
Smallest Ring Size 6
Smallest Ring System Size 1

 






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