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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.6
Van der Waals volume 281.96
Polar Surface Area 60.44
Van der Waals Surface Area 431.76
Refractivity 88.4

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ELEMENTAL PROPERTIESExact Mass 310.121
Isotope Formula C19H18O4
Dot Disconnected Formula C19H18O4
Dot Disconnected Isotope Formula C19H18O4
Composition C (73.53%), H (5.85%), O (20.62%)
Isotope Composition C (73.53%), H (5.85%), O (20.62%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count41
Aliphatic Atom Count 17
Aliphatic Bond Count 19
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 43
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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