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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.63
Van der Waals volume 252.4
Polar Surface Area 52.6
Van der Waals Surface Area 371.32
Refractivity 84.3

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ELEMENTAL PROPERTIESExact Mass 294.089
Isotope Formula C18H14O4
Dot Disconnected Formula C18H14O4
Dot Disconnected Isotope Formula C18H14O4
Composition C (73.46%), H (4.79%), O (21.75%)
Isotope Composition C (73.46%), H (4.79%), O (21.75%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count36
Aliphatic Atom Count 11
Aliphatic Bond Count 14
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 39
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 0
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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