NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.67
Van der Waals volume 225.3
Polar Surface Area 20.23
Van der Waals Surface Area 364.97
Refractivity 69.66

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ELEMENTAL PROPERTIESExact Mass 216.151
Isotope Formula C15H20O
Dot Disconnected Formula C15H20O
Dot Disconnected Isotope Formula C15H20O
Composition C (83.28%), H (9.32%), O (7.4%)
Isotope Composition C (83.28%), H (9.32%), O (7.4%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count36
Aliphatic Atom Count 10
Aliphatic Bond Count 11
Aromatic Bond Count 6
Asymmetric Atom Count 1
Bond Count 37
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 1
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
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.