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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.11
Van der Waals volume 284.28
Polar Surface Area 83.45
Van der Waals Surface Area 439.61
Refractivity 91.74

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ELEMENTAL PROPERTIESExact Mass 364.058
Isotope Formula C20H12O7
Dot Disconnected Formula C20H12O7
Dot Disconnected Isotope Formula C20H12O7
Composition C (65.94%), H (3.32%), O (30.74%)
Isotope Composition C (65.94%), H (3.32%), O (30.74%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 11
Aliphatic Bond Count 15
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 44
Chain Atom Count 2
Chain Bond Count 3
Chiral Center Count 0
Ring Atom Count 25
Ring Bond Count 29
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 2

 






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