ALA2270030Name:
2-(N-Ethoxycarbonylimino)-3-(3-trifluoromethylphenyl)-1,3-thiazolineMol. Formula:
C13H11F3N2O2SM.W.:
316.30Type:
Small moleculeAlogP:
3.61Polar Surface Area:
43.59HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
3.26Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
Small moleculeAlogP:
3.70Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS- ALA2270025
Name:
N-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)pivalamideMol. Formula:
C16H17F3N2OSM.W.:
342.39Type:
Small moleculeAlogP:
4.34Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2270023
Name:
N-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)butyramideMol. Formula:
C15H15F3N2OSM.W.:
328.36Type:
Small moleculeAlogP:
4.09Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2270022
Name:
N-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)propionamideMol. Formula:
C14H13F3N2OSM.W.:
314.33Type:
Small moleculeAlogP:
3.70Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA2270021
Name:
N-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)cyanamideMol. Formula:
C12H8F3N3SM.W.:
283.28Type:
Small moleculeAlogP:
3.25Polar Surface Area:
41.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
2.73Polar Surface Area:
51.43HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
46.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.45Polar Surface Area:
37.60HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
29.32HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2270016
Name:
1-ethyl-3-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)ureaMol. Formula:
C14H14F3N3OSM.W.:
329.35Type:
Small moleculeAlogP:
3.50Polar Surface Area:
46.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
4.11Polar Surface Area:
17.29HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2270014
Name:
N-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)acetamideMol. Formula:
C13H11F3N2OSM.W.:
300.31Type:
Small moleculeAlogP:
3.31Polar Surface Area:
34.36HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
4.41Polar Surface Area:
17.29HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
5.75Polar Surface Area:
17.29HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA2270011
Name:
N-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)methanamineMol. Formula:
C12H11F3N2SM.W.:
272.30Type:
Small moleculeAlogP:
3.40Polar Surface Area:
17.29HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS
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