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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.49
Van der Waals volume 364.49
Polar Surface Area 121.13
Van der Waals Surface Area 567.02
Refractivity 100.02

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ELEMENTAL PROPERTIESExact Mass 404.184
Isotope Formula C22H28O7
Dot Disconnected Formula C22H28O7
Dot Disconnected Isotope Formula C22H28O7
Composition C (65.33%), H (6.98%), O (27.69%)
Isotope Composition C (65.33%), H (6.98%), O (27.69%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 29
Aliphatic Bond Count 33
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 61
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 21
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
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 5
Smallest Ring System Size 5

 






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