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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.16
Van der Waals volume 307.95
Polar Surface Area 66.76
Van der Waals Surface Area 495.42
Refractivity 86.41

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ELEMENTAL PROPERTIESExact Mass 296.199
Isotope Formula C17H28O4
Dot Disconnected Formula C17H28O4
Dot Disconnected Isotope Formula C17H28O4
Composition C (68.89%), H (9.52%), O (21.59%)
Isotope Composition C (68.89%), H (9.52%), O (21.59%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 21
Aliphatic Bond Count 20
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 48
Chain Atom Count 21
Chain Bond Count 20
Chiral Center Count 2
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 10
Stereo Double Bond Count 2
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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