NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.18
Van der Waals volume 303.39
Polar Surface Area 70.29
Van der Waals Surface Area 477.17
Refractivity 92.35

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ELEMENTAL PROPERTIESExact Mass 354.11
Isotope Formula C20H18O6
Dot Disconnected Formula C20H18O6
Dot Disconnected Isotope Formula C20H18O6
Composition C (67.79%), H (5.12%), O (27.09%)
Isotope Composition C (67.79%), H (5.12%), O (27.09%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 11
Aliphatic Bond Count 14
Aromatic Bond Count 16
Asymmetric Atom Count 3
Bond Count 48
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 3
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
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.