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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.04
Van der Waals volume 285.97
Polar Surface Area 37.3
Van der Waals Surface Area 455.21
Refractivity 86.44

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ELEMENTAL PROPERTIESExact Mass 284.178
Isotope Formula C19H24O2
Dot Disconnected Formula C19H24O2
Dot Disconnected Isotope Formula C19H24O2
Composition C (80.24%), H (8.51%), O (11.25%)
Isotope Composition C (80.24%), H (8.51%), O (11.25%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count45
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 6
Asymmetric Atom Count 3
Bond Count 47
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 3
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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