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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.4
Van der Waals volume 330.53
Polar Surface Area 138.2
Van der Waals Surface Area 472.29
Refractivity 108.65

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ELEMENTAL PROPERTIESExact Mass 416.053
Isotope Formula C23H12O8
Dot Disconnected Formula C23H12O8
Dot Disconnected Isotope Formula C23H12O8
Composition C (66.35%), H (2.91%), O (30.74%)
Isotope Composition C (66.35%), H (2.91%), O (30.74%)
Donor Sites 3
Donor Count 3
Acceptor Sites 12
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 9
Aliphatic Bond Count 9
Aromatic Bond Count 26
Asymmetric Atom Count 0
Bond Count 47
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 5
Carbo Ring Count 5
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 5
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 5
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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