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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.7
Van der Waals volume 366.4
Polar Surface Area 102.29
Van der Waals Surface Area 468.17
Refractivity 98.63

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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 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 29
Aliphatic Bond Count 34
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 62
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 10
Ring Atom Count 19
Ring Bond Count 24
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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