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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.1
Van der Waals volume 263.02
Polar Surface Area 86.99
Van der Waals Surface Area 404.11
Refractivity 70.9

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ELEMENTAL PROPERTIESExact Mass 282.147
Isotope Formula C15H22O5
Dot Disconnected Formula C15H22O5
Dot Disconnected Isotope Formula C15H22O5
Composition C (63.81%), H (7.85%), O (28.33%)
Isotope Composition C (63.81%), H (7.85%), O (28.33%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 20
Aliphatic Bond Count 22
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 44
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 8
Ring Atom Count 13
Ring Bond Count 15
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 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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