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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.09
Van der Waals volume 620.88
Polar Surface Area 96.22
Van der Waals Surface Area 1065.42
Refractivity 167.67

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ELEMENTAL PROPERTIESExact Mass 580.47
Isotope Formula C35H64O6
Dot Disconnected Formula C35H64O6
Dot Disconnected Isotope Formula C35H64O6
Composition C (72.37%), H (11.11%), O (16.53%)
Isotope Composition C (72.37%), H (11.11%), O (16.53%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count105
Aliphatic Atom Count 41
Aliphatic Bond Count 42
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 106
Chain Atom Count 31
Chain Bond Count 32
Chiral Center Count 6
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.