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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.99
Van der Waals volume 280.88
Polar Surface Area 51.16
Van der Waals Surface Area 451.46
Refractivity 86.36

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ELEMENTAL PROPERTIESExact Mass 315.147
Isotope Formula C18H21NO4
Dot Disconnected Formula C18H21NO4
Dot Disconnected Isotope Formula C18H21NO4
Composition C (68.55%), H (6.71%), N (4.44%), O (20.29%)
Isotope Composition C (68.55%), H (6.71%), N (4.44%), O (20.29%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 17
Aliphatic Bond Count 21
Aromatic Bond Count 6
Asymmetric Atom Count 3
Bond Count 48
Chain Atom Count 3
Chain Bond Count 3
Chiral Center Count 3
Ring Atom Count 20
Ring Bond Count 24
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 7
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.