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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.22
Van der Waals volume 374.54
Polar Surface Area 96.22
Van der Waals Surface Area 570.21
Refractivity 120.87

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ELEMENTAL PROPERTIESExact Mass 420.157
Isotope Formula C25H24O6
Dot Disconnected Formula C25H24O6
Dot Disconnected Isotope Formula C25H24O6
Composition C (71.41%), H (5.75%), O (22.83%)
Isotope Composition C (71.41%), H (5.75%), O (22.83%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 58
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
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 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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