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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.77
Van der Waals volume 328.6
Polar Surface Area 9.23
Van der Waals Surface Area 562.24
Refractivity 91.11

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ELEMENTAL PROPERTIESExact Mass 294.238
Isotope Formula C18H34OSi
Dot Disconnected Formula C18H34OSi
Dot Disconnected Isotope Formula C18H34OSi
Composition C (73.4%), H (11.63%), O (5.43%), Si (9.54%)
Isotope Composition C (73.4%), H (11.63%), O (5.43%), Si (9.54%)
Donor Sites 0
Donor Count 0
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 20
Aliphatic Bond Count 19
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 53
Chain Atom Count 20
Chain Bond Count 19
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 9
Stereo Double Bond Count 2
Aliphatic Ring Count 0
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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