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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.4
Van der Waals volume 652.69
Polar Surface Area 115.06
Van der Waals Surface Area 1045.26
Refractivity 182.1

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ELEMENTAL PROPERTIESExact Mass 638.455
Isotope Formula C40H62O6
Dot Disconnected Formula C40H62O6
Dot Disconnected Isotope Formula C40H62O6
Composition C (75.19%), H (9.78%), O (15.02%)
Isotope Composition C (75.19%), H (9.78%), O (15.02%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count108
Aliphatic Atom Count 46
Aliphatic Bond Count 51
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 113
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 12
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 6
Carboaliphatic Ring Count 6
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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