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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.79
Van der Waals volume 619.89
Polar Surface Area 105.45
Van der Waals Surface Area 1051.94
Refractivity 167.19

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ELEMENTAL PROPERTIESExact Mass 594.45
Isotope Formula C35H62O7
Dot Disconnected Formula C35H62O7
Dot Disconnected Isotope Formula C35H62O7
Composition C (70.67%), H (10.51%), O (18.83%)
Isotope Composition C (70.67%), H (10.51%), O (18.83%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count104
Aliphatic Atom Count 42
Aliphatic Bond Count 44
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 106
Chain Atom Count 27
Chain Bond Count 29
Chiral Center Count 8
Ring Atom Count 15
Ring Bond Count 15
Rotatable Bond Count 23
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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