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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.55
Van der Waals volume 335.5
Polar Surface Area 92.68
Van der Waals Surface Area 543.15
Refractivity 101.52

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ELEMENTAL PROPERTIESExact Mass 388.116
Isotope Formula C20H20O8
Dot Disconnected Formula C20H20O8
Dot Disconnected Isotope Formula C20H20O8
Composition C (61.85%), H (5.19%), O (32.96%)
Isotope Composition C (61.85%), H (5.19%), O (32.96%)
Donor Sites 1
Donor Count 1
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 12
Aliphatic Bond Count 13
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 50
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 0
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 6
Smallest Ring System Size 1

 






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