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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.5
Van der Waals volume 260.56
Polar Surface Area 68.29
Van der Waals Surface Area 411.79
Refractivity 79

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ELEMENTAL PROPERTIESExact Mass 300.1
Isotope Formula C17H16O5
Dot Disconnected Formula C17H16O5
Dot Disconnected Isotope Formula C17H16O5
Composition C (67.99%), H (5.37%), O (26.64%)
Isotope Composition C (67.99%), H (5.37%), O (26.64%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count38
Aliphatic Atom Count 12
Aliphatic Bond Count 14
Aromatic Bond Count 11
Asymmetric Atom Count 2
Bond Count 41
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 2
Ring Atom Count 15
Ring Bond Count 18
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 2
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 3
Smallest Ring System Size 4

 






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