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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.38
Van der Waals volume 287.57
Polar Surface Area 63.22
Van der Waals Surface Area 429.25
Refractivity 91.93

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ELEMENTAL PROPERTIESExact Mass 350.079
Isotope Formula C20H14O6
Dot Disconnected Formula C20H14O6
Dot Disconnected Isotope Formula C20H14O6
Composition C (68.57%), H (4.03%), O (27.4%)
Isotope Composition C (68.57%), H (4.03%), O (27.4%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count40
Aliphatic Atom Count 14
Aliphatic Bond Count 18
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 44
Chain Atom Count 3
Chain Bond Count 5
Chiral Center Count 0
Ring Atom Count 23
Ring Bond Count 25
Rotatable Bond Count 2
Stereo Double Bond Count 2
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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