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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.61
Van der Waals volume 359.48
Polar Surface Area 67.87
Van der Waals Surface Area 580.89
Refractivity 108.01

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ELEMENTAL PROPERTIESExact Mass 384.205
Isotope Formula C22H28N2O4
Dot Disconnected Formula C22H28N2O4
Dot Disconnected Isotope Formula C22H28N2O4
Composition C (68.73%), H (7.34%), N (7.29%), O (16.65%)
Isotope Composition C (68.73%), H (7.34%), N (7.29%), O (16.65%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 22
Aliphatic Bond Count 25
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 59
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 5
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
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.