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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.37
Van der Waals volume 356.47
Polar Surface Area 30.93
Van der Waals Surface Area 584.77
Refractivity 112.01

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ELEMENTAL PROPERTIESExact Mass 377.199
Isotope Formula C24H27NO3
Dot Disconnected Formula C24H27NO3
Dot Disconnected Isotope Formula C24H27NO3
Composition C (76.36%), H (7.21%), N (3.71%), O (12.72%)
Isotope Composition C (76.36%), H (7.21%), N (3.71%), O (12.72%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 14
Aliphatic Bond Count 16
Aromatic Bond Count 16
Asymmetric Atom Count 2
Bond Count 59
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 2
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 3
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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