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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.85
Van der Waals volume 230.87
Polar Surface Area 17.07
Van der Waals Surface Area 376.77
Refractivity 68.15

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ELEMENTAL PROPERTIESExact Mass 218.167
Isotope Formula C15H22O
Dot Disconnected Formula C15H22O
Dot Disconnected Isotope Formula C15H22O
Composition C (82.52%), H (10.16%), O (7.33%)
Isotope Composition C (82.52%), H (10.16%), O (7.33%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count38
Aliphatic Atom Count 16
Aliphatic Bond Count 17
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 39
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 2
Ring Atom Count 11
Ring Bond Count 12
Rotatable Bond Count 0
Stereo Double Bond Count 1
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 9
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 4
Smallest Ring System Size 2

 






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