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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.63
Van der Waals volume 338.87
Polar Surface Area 75.99
Van der Waals Surface Area 523.08
Refractivity 109.41

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ELEMENTAL PROPERTIESExact Mass 378.147
Isotope Formula C23H22O5
Dot Disconnected Formula C23H22O5
Dot Disconnected Isotope Formula C23H22O5
Composition C (73%), H (5.86%), O (21.14%)
Isotope Composition C (73%), H (5.86%), O (21.14%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 14
Aliphatic Bond Count 15
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 53
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 0
Ring Atom Count 18
Ring Bond Count 21
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
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 6
Smallest Ring System Size 4

 






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