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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.62
Van der Waals volume 234.67
Polar Surface Area 12.53
Van der Waals Surface Area 397.03
Refractivity 66.21

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ELEMENTAL PROPERTIESExact Mass 220.183
Isotope Formula C15H24O
Dot Disconnected Formula C15H24O
Dot Disconnected Isotope Formula C15H24O
Composition C (81.76%), H (10.98%), O (7.26%)
Isotope Composition C (81.76%), H (10.98%), O (7.26%)
Donor Sites 0
Donor Count 0
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count40
Aliphatic Atom Count 16
Aliphatic Bond Count 18
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 42
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 4
Ring Atom Count 12
Ring Bond Count 14
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 9
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 3
Smallest Ring System Size 3

 






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