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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.54
Van der Waals volume 330.88
Polar Surface Area 80.67
Van der Waals Surface Area 509.23
Refractivity 102.24

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ELEMENTAL PROPERTIESExact Mass 364.131
Isotope Formula C22H20O5
Dot Disconnected Formula C22H20O5
Dot Disconnected Isotope Formula C22H20O5
Composition C (72.51%), H (5.53%), O (21.95%)
Isotope Composition C (72.51%), H (5.53%), O (21.95%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count47
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 49
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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