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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.77
Van der Waals volume 584.21
Polar Surface Area 183.21
Van der Waals Surface Area 901.07
Refractivity 163.22

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ELEMENTAL PROPERTIESExact Mass 632.32
Isotope Formula C34H48O11
Dot Disconnected Formula C34H48O11
Dot Disconnected Isotope Formula C34H48O11
Composition C (64.54%), H (7.65%), O (27.81%)
Isotope Composition C (64.54%), H (7.65%), O (27.81%)
Donor Sites 6
Donor Count 6
Acceptor Sites 12
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count93
Aliphatic Atom Count 45
Aliphatic Bond Count 50
Aromatic Bond Count 0
Asymmetric Atom Count 14
Bond Count 98
Chain Atom Count 16
Chain Bond Count 18
Chiral Center Count 14
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.