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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.18
Van der Waals volume 356.31
Polar Surface Area 73.83
Van der Waals Surface Area 565.97
Refractivity 113.9

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ELEMENTAL PROPERTIESExact Mass 378.183
Isotope Formula C24H26O4
Dot Disconnected Formula C24H26O4
Dot Disconnected Isotope Formula C24H26O4
Composition C (76.17%), H (6.92%), O (16.91%)
Isotope Composition C (76.17%), H (6.92%), O (16.91%)
Donor Sites 3
Donor Count 3
Acceptor Sites 3
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 13
Aliphatic Bond Count 14
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 56
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 3
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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