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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.54
Van der Waals volume 362.62
Polar Surface Area 100.9
Van der Waals Surface Area 583.23
Refractivity 97.34

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ELEMENTAL PROPERTIESExact Mass 378.204
Isotope Formula C21H30O6
Dot Disconnected Formula C21H30O6
Dot Disconnected Isotope Formula C21H30O6
Composition C (66.65%), H (7.99%), O (25.37%)
Isotope Composition C (66.65%), H (7.99%), O (25.37%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 27
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 59
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 6
Ring Atom Count 14
Ring Bond Count 15
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
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 5
Smallest Ring System Size 1

 






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