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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.66
Van der Waals volume 606.09
Polar Surface Area 166.14
Van der Waals Surface Area 953.99
Refractivity 165.98

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ELEMENTAL PROPERTIESExact Mass 634.372
Isotope Formula C35H54O10
Dot Disconnected Formula C35H54O10
Dot Disconnected Isotope Formula C35H54O10
Composition C (66.22%), H (8.57%), O (25.2%)
Isotope Composition C (66.22%), H (8.57%), O (25.2%)
Donor Sites 6
Donor Count 6
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count99
Aliphatic Atom Count 45
Aliphatic Bond Count 50
Aromatic Bond Count 0
Asymmetric Atom Count 15
Bond Count 104
Chain Atom Count 16
Chain Bond Count 18
Chiral Center Count 15
Ring Atom Count 29
Ring Bond Count 32
Rotatable Bond Count 7
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 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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