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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.05
Van der Waals volume 1104.12
Polar Surface Area 412.82
Van der Waals Surface Area 1734.67
Refractivity 283.5

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ELEMENTAL PROPERTIESExact Mass 1206.6
Isotope Formula C58H94O26
Dot Disconnected Formula C58H94O26
Dot Disconnected Isotope Formula C58H94O26
Composition C (57.7%), H (7.85%), O (34.45%)
Isotope Composition C (57.7%), H (7.85%), O (34.45%)
Donor Sites 15
Donor Count 15
Acceptor Sites 26
Acceptor Count 25


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TOPOLOGICAL PROPERTIESAtom Count178
Aliphatic Atom Count 84
Aliphatic Bond Count 93
Aromatic Bond Count 0
Asymmetric Atom Count 33
Bond Count 187
Chain Atom Count 32
Chain Bond Count 37
Chiral Center Count 33
Ring Atom Count 52
Ring Bond Count 56
Rotatable Bond Count 13
Stereo Double Bond Count 0
Aliphatic Ring Count 10
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 10
Smallest Ring Size 6
Smallest Ring System Size 1

 






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