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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.24
Van der Waals volume 289.65
Polar Surface Area 69.92
Van der Waals Surface Area 438.09
Refractivity 91.07

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ELEMENTAL PROPERTIESExact Mass 322.121
Isotope Formula C20H18O4
Dot Disconnected Formula C20H18O4
Dot Disconnected Isotope Formula C20H18O4
Composition C (74.52%), H (5.63%), O (19.85%)
Isotope Composition C (74.52%), H (5.63%), O (19.85%)
Donor Sites 3
Donor Count 3
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 8
Aliphatic Bond Count 10
Aromatic Bond Count 17
Asymmetric Atom Count 3
Bond Count 45
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 3
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
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 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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