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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.71
Van der Waals volume 654.77
Polar Surface Area 177.14
Van der Waals Surface Area 1093.31
Refractivity 173.96

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ELEMENTAL PROPERTIESExact Mass 644.45
Isotope Formula C35H64O10
Dot Disconnected Formula C35H64O10
Dot Disconnected Isotope Formula C35H64O10
Composition C (65.19%), H (10%), O (24.81%)
Isotope Composition C (65.19%), H (10%), O (24.81%)
Donor Sites 7
Donor Count 7
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count109
Aliphatic Atom Count 45
Aliphatic Bond Count 46
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 110
Chain Atom Count 35
Chain Bond Count 36
Chiral Center Count 10
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 26
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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