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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.53
Van der Waals volume 522.98
Polar Surface Area 105.45
Van der Waals Surface Area 815.61
Refractivity 166.61

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ELEMENTAL PROPERTIESExact Mass 570.262
Isotope Formula C35H38O7
Dot Disconnected Formula C35H38O7
Dot Disconnected Isotope Formula C35H38O7
Composition C (73.66%), H (6.71%), O (19.63%)
Isotope Composition C (73.66%), H (6.71%), O (19.63%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 26
Aliphatic Bond Count 30
Aromatic Bond Count 17
Asymmetric Atom Count 1
Bond Count 85
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 1
Ring Atom Count 24
Ring Bond Count 29
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 2
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
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.