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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.47
Van der Waals volume 365.25
Polar Surface Area 85.22
Van der Waals Surface Area 568.83
Refractivity 115.88

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ELEMENTAL PROPERTIESExact Mass 408.157
Isotope Formula C24H24O6
Dot Disconnected Formula C24H24O6
Dot Disconnected Isotope Formula C24H24O6
Composition C (70.57%), H (5.92%), O (23.5%)
Isotope Composition C (70.57%), H (5.92%), O (23.5%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 16
Aliphatic Bond Count 17
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 57
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 18
Ring Bond Count 21
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 3
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 4

 






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