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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.83
Van der Waals volume 301.77
Polar Surface Area 116.45
Van der Waals Surface Area 455.56
Refractivity 96.15

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ELEMENTAL PROPERTIESExact Mass 368.09
Isotope Formula C20H16O7
Dot Disconnected Formula C20H16O7
Dot Disconnected Isotope Formula C20H16O7
Composition C (65.22%), H (4.38%), O (30.41%)
Isotope Composition C (65.22%), H (4.38%), O (30.41%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 11
Aliphatic Bond Count 14
Aromatic Bond Count 17
Asymmetric Atom Count 1
Bond Count 47
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 1
Ring Atom Count 20
Ring Bond Count 24
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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