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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.28
Van der Waals volume 320.59
Polar Surface Area 77.38
Van der Waals Surface Area 512.74
Refractivity 95.1

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ELEMENTAL PROPERTIESExact Mass 358.142
Isotope Formula C20H22O6
Dot Disconnected Formula C20H22O6
Dot Disconnected Isotope Formula C20H22O6
Composition C (67.03%), H (6.19%), O (26.79%)
Isotope Composition C (67.03%), H (6.19%), O (26.79%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 14
Aliphatic Bond Count 17
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 51
Chain Atom Count 6
Chain Bond Count 8
Chiral Center Count 4
Ring Atom Count 20
Ring Bond Count 21
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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