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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.9
Van der Waals volume 247.55
Polar Surface Area 55.76
Van der Waals Surface Area 381.2
Refractivity 79.65

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ELEMENTAL PROPERTIESExact Mass 282.089
Isotope Formula C17H14O4
Dot Disconnected Formula C17H14O4
Dot Disconnected Isotope Formula C17H14O4
Composition C (72.33%), H (5%), O (22.67%)
Isotope Composition C (72.33%), H (5%), O (22.67%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count35
Aliphatic Atom Count 9
Aliphatic Bond Count 11
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 37
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 2
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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