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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.21
Van der Waals volume 254.39
Polar Surface Area 55.76
Van der Waals Surface Area 398.96
Refractivity 80.91

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ELEMENTAL PROPERTIESExact Mass 284.105
Isotope Formula C17H16O4
Dot Disconnected Formula C17H16O4
Dot Disconnected Isotope Formula C17H16O4
Composition C (71.82%), H (5.67%), O (22.51%)
Isotope Composition C (71.82%), H (5.67%), O (22.51%)
Donor Sites 1
Donor Count 1
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count37
Aliphatic Atom Count 11
Aliphatic Bond Count 12
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 39
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 2
Stereo Double Bond Count 0
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 2
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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