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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.26
Van der Waals volume 293.17
Polar Surface Area 37.3
Van der Waals Surface Area 527.64
Refractivity 77.08

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ELEMENTAL PROPERTIESExact Mass 256.24
Isotope Formula C16H32O2
Dot Disconnected Formula C16H32O2
Dot Disconnected Isotope Formula C16H32O2
Composition C (74.94%), H (12.58%), O (12.48%)
Isotope Composition C (74.94%), H (12.58%), O (12.48%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 18
Aliphatic Bond Count 17
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 49
Chain Atom Count 18
Chain Bond Count 17
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 14
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.