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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.22
Van der Waals volume 604.1
Polar Surface Area 144.28
Van der Waals Surface Area 947.02
Refractivity 170.32

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ELEMENTAL PROPERTIESExact Mass 642.34
Isotope Formula C36H50O10
Dot Disconnected Formula C36H50O10
Dot Disconnected Isotope Formula C36H50O10
Composition C (67.27%), H (7.84%), O (24.89%)
Isotope Composition C (67.27%), H (7.84%), O (24.89%)
Donor Sites 3
Donor Count 3
Acceptor Sites 11
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count96
Aliphatic Atom Count 46
Aliphatic Bond Count 51
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 101
Chain Atom Count 27
Chain Bond Count 27
Chiral Center Count 12
Ring Atom Count 19
Ring Bond Count 24
Rotatable Bond Count 14
Stereo Double Bond Count 2
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 3
Smallest Ring System Size 6

 






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