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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.39
Van der Waals volume 330.23
Polar Surface Area 54.7
Van der Waals Surface Area 541.6
Refractivity 99.57

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ELEMENTAL PROPERTIESExact Mass 354.194
Isotope Formula C21H26N2O3
Dot Disconnected Formula C21H26N2O3
Dot Disconnected Isotope Formula C21H26N2O3
Composition C (71.16%), H (7.39%), N (7.9%), O (13.54%)
Isotope Composition C (71.16%), H (7.39%), N (7.9%), O (13.54%)
Donor Sites 1
Donor Count 1
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 17
Aliphatic Bond Count 20
Aromatic Bond Count 10
Asymmetric Atom Count 4
Bond Count 56
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 4
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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