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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.83
Van der Waals volume 379.15
Polar Surface Area 119.36
Van der Waals Surface Area 607.1
Refractivity 99.91

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ELEMENTAL PROPERTIESExact Mass 410.194
Isotope Formula C21H30O8
Dot Disconnected Formula C21H30O8
Dot Disconnected Isotope Formula C21H30O8
Composition C (61.45%), H (7.37%), O (31.18%)
Isotope Composition C (61.45%), H (7.37%), O (31.18%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count59
Aliphatic Atom Count 29
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 61
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 8
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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