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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.38
Van der Waals volume 611.92
Polar Surface Area 111.52
Van der Waals Surface Area 1047.21
Refractivity 164.98

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ELEMENTAL PROPERTIESExact Mass 594.413
Isotope Formula C34H58O8
Dot Disconnected Formula C34H58O8
Dot Disconnected Isotope Formula C34H58O8
Composition C (68.65%), H (9.83%), O (21.52%)
Isotope Composition C (68.65%), H (9.83%), O (21.52%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count100
Aliphatic Atom Count 42
Aliphatic Bond Count 43
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 101
Chain Atom Count 32
Chain Bond Count 33
Chiral Center Count 8
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 17
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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