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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.51
Van der Waals volume 360.56
Polar Surface Area 74.88
Van der Waals Surface Area 562.43
Refractivity 109.48

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ELEMENTAL PROPERTIESExact Mass 410.184
Isotope Formula C23H26N2O5
Dot Disconnected Formula C23H26N2O5
Dot Disconnected Isotope Formula C23H26N2O5
Composition C (67.3%), H (6.38%), N (6.82%), O (19.49%)
Isotope Composition C (67.3%), H (6.38%), N (6.82%), O (19.49%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 24
Aliphatic Bond Count 30
Aromatic Bond Count 6
Asymmetric Atom Count 7
Bond Count 62
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 7
Ring Atom Count 24
Ring Bond Count 30
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 7
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 7
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 7

 






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