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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.81
Van der Waals volume 574.05
Polar Surface Area 156.91
Van der Waals Surface Area 884.87
Refractivity 175.22

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ELEMENTAL PROPERTIESExact Mass 626.252
Isotope Formula C37H38O9
Dot Disconnected Formula C37H38O9
Dot Disconnected Isotope Formula C37H38O9
Composition C (70.91%), H (6.11%), O (22.98%)
Isotope Composition C (70.91%), H (6.11%), O (22.98%)
Donor Sites 6
Donor Count 6
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 22
Aliphatic Bond Count 26
Aromatic Bond Count 24
Asymmetric Atom Count 4
Bond Count 88
Chain Atom Count 18
Chain Bond Count 21
Chiral Center Count 4
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 12
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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