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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 11.24
Van der Waals volume 805.15
Polar Surface Area 197.37
Van der Waals Surface Area 1233.37
Refractivity 253.04

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ELEMENTAL PROPERTIESExact Mass 878.367
Isotope Formula C54H54O11
Dot Disconnected Formula C54H54O11
Dot Disconnected Isotope Formula C54H54O11
Composition C (73.79%), H (6.19%), O (20.02%)
Isotope Composition C (73.79%), H (6.19%), O (20.02%)
Donor Sites 8
Donor Count 8
Acceptor Sites 12
Acceptor Count 11


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TOPOLOGICAL PROPERTIESAtom Count119
Aliphatic Atom Count 29
Aliphatic Bond Count 35
Aromatic Bond Count 36
Asymmetric Atom Count 6
Bond Count 125
Chain Atom Count 23
Chain Bond Count 29
Chiral Center Count 6
Ring Atom Count 42
Ring Bond Count 42
Rotatable Bond Count 17
Stereo Double Bond Count 2
Aliphatic Ring Count 1
Aromatic Ring Count 6
Carbo Ring Count 6
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 6
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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