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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.92
Van der Waals volume 539.84
Polar Surface Area 95.2
Van der Waals Surface Area 859.59
Refractivity 155.98

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ELEMENTAL PROPERTIESExact Mass 574.293
Isotope Formula C35H42O7
Dot Disconnected Formula C35H42O7
Dot Disconnected Isotope Formula C35H42O7
Composition C (73.15%), H (7.37%), O (19.49%)
Isotope Composition C (73.15%), H (7.37%), O (19.49%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 31
Aliphatic Bond Count 37
Aromatic Bond Count 11
Asymmetric Atom Count 11
Bond Count 90
Chain Atom Count 12
Chain Bond Count 14
Chiral Center Count 11
Ring Atom Count 30
Ring Bond Count 34
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 2
Carbo Ring Count 5
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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