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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.97
Van der Waals volume 126.65
Polar Surface Area 83.83
Van der Waals Surface Area 208.62
Refractivity 29.64

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ELEMENTAL PROPERTIESExact Mass 148.037
Isotope Formula C5H8O5
Dot Disconnected Formula C5H8O5
Dot Disconnected Isotope Formula C5H8O5
Composition C (40.55%), H (5.44%), O (54.01%)
Isotope Composition C (40.55%), H (5.44%), O (54.01%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count18
Aliphatic Atom Count 10
Aliphatic Bond Count 9
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 17
Chain Atom Count 10
Chain Bond Count 9
Chiral Center Count 1
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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