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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.81
Van der Waals volume 581.18
Polar Surface Area 175.51
Van der Waals Surface Area 912.11
Refractivity 159.61

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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 5
Donor Count 5
Acceptor Sites 12
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count93
Aliphatic Atom Count 45
Aliphatic Bond Count 51
Aromatic Bond Count 0
Asymmetric Atom Count 16
Bond Count 99
Chain Atom Count 15
Chain Bond Count 17
Chiral Center Count 16
Ring Atom Count 30
Ring Bond Count 34
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 3
Smallest Ring System Size 1

 






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