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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.46
Van der Waals volume 254.54
Polar Surface Area 40.46
Van der Waals Surface Area 418.5
Refractivity 69.63

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ELEMENTAL PROPERTIESExact Mass 238.193
Isotope Formula C15H26O2
Dot Disconnected Formula C15H26O2
Dot Disconnected Isotope Formula C15H26O2
Composition C (75.58%), H (10.99%), O (13.42%)
Isotope Composition C (75.58%), H (10.99%), O (13.42%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 17
Aliphatic Bond Count 18
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 44
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 5
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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