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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.93
Van der Waals volume 339.08
Polar Surface Area 30.93
Van der Waals Surface Area 555.18
Refractivity 107.41

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ELEMENTAL PROPERTIESExact Mass 363.183
Isotope Formula C23H25NO3
Dot Disconnected Formula C23H25NO3
Dot Disconnected Isotope Formula C23H25NO3
Composition C (76.01%), H (6.93%), N (3.85%), O (13.21%)
Isotope Composition C (76.01%), H (6.93%), N (3.85%), O (13.21%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 13
Aliphatic Bond Count 15
Aromatic Bond Count 16
Asymmetric Atom Count 2
Bond Count 56
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 2
Ring Atom Count 21
Ring Bond Count 25
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 5
Smallest Ring System Size 5

 






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