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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.51
Van der Waals volume 296.83
Polar Surface Area 46.15
Van der Waals Surface Area 461.35
Refractivity 93.27

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ELEMENTAL PROPERTIESExact Mass 350.115
Isotope Formula C21H18O5
Dot Disconnected Formula C21H18O5
Dot Disconnected Isotope Formula C21H18O5
Composition C (71.99%), H (5.18%), O (22.83%)
Isotope Composition C (71.99%), H (5.18%), O (22.83%)
Donor Sites 0
Donor Count 0
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 14
Aliphatic Bond Count 19
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 49
Chain Atom Count 3
Chain Bond Count 3
Chiral Center Count 3
Ring Atom Count 23
Ring Bond Count 28
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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