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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.94
Van der Waals volume 359.14
Polar Surface Area 60.69
Van der Waals Surface Area 638.58
Refractivity 94.14

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ELEMENTAL PROPERTIESExact Mass 316.298
Isotope Formula C19H40O3
Dot Disconnected Formula C19H40O3
Dot Disconnected Isotope Formula C19H40O3
Composition C (72.1%), H (12.74%), O (15.16%)
Isotope Composition C (72.1%), H (12.74%), O (15.16%)
Donor Sites 3
Donor Count 3
Acceptor Sites 3
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count62
Aliphatic Atom Count 22
Aliphatic Bond Count 21
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 61
Chain Atom Count 22
Chain Bond Count 21
Chiral Center Count 2
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 17
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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