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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.52
Van der Waals volume 357.39
Polar Surface Area 63.6
Van der Waals Surface Area 518.68
Refractivity 98.5

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ELEMENTAL PROPERTIESExact Mass 360.23
Isotope Formula C22H32O4
Dot Disconnected Formula C22H32O4
Dot Disconnected Isotope Formula C22H32O4
Composition C (73.3%), H (8.95%), O (17.75%)
Isotope Composition C (73.3%), H (8.95%), O (17.75%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 61
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 7
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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