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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.61
Van der Waals volume 351.26
Polar Surface Area 51.24
Van der Waals Surface Area 546.38
Refractivity 107.43

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ELEMENTAL PROPERTIESExact Mass 394.189
Isotope Formula C23H26N2O4
Dot Disconnected Formula C23H26N2O4
Dot Disconnected Isotope Formula C23H26N2O4
Composition C (70.03%), H (6.64%), N (7.1%), O (16.22%)
Isotope Composition C (70.03%), H (6.64%), N (7.1%), O (16.22%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 23
Aliphatic Bond Count 29
Aromatic Bond Count 6
Asymmetric Atom Count 7
Bond Count 61
Chain Atom Count 5
Chain Bond Count 5
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.