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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.48
Van der Waals volume 534.65
Polar Surface Area 138.2
Van der Waals Surface Area 852.66
Refractivity 152.61

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ELEMENTAL PROPERTIESExact Mass 556.304
Isotope Formula C32H44O8
Dot Disconnected Formula C32H44O8
Dot Disconnected Isotope Formula C32H44O8
Composition C (69.04%), H (7.97%), O (22.99%)
Isotope Composition C (69.04%), H (7.97%), O (22.99%)
Donor Sites 3
Donor Count 3
Acceptor Sites 11
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 40
Aliphatic Bond Count 43
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 87
Chain Atom Count 23
Chain Bond Count 23
Chiral Center Count 8
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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