Type:
Small moleculeAlogP:
4.48Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.26DETAILS
ALA4242434Name:
Ethyl 4-(4-((5-nitrofuran-2-yl)methylene)-3-oxopyrazolidin-1-yl)benzoateMol. Formula:
C17H15N3O6M.W.:
357.32Type:
Small moleculeAlogP:
2.30Polar Surface Area:
114.92HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.33DETAILS
ALA2235015Name:
1-(2,6-Difluorophenyl)-3-(6-trifluoromethoxybenzothiazol-2-yl)ureaMol. Formula:
C15H8F5N3O2SM.W.:
389.31Type:
Small moleculeAlogP:
5.12Polar Surface Area:
63.25HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA2235013Name:
1-(4-methoxyphenyl)-3-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)ureaMol. Formula:
C16H12F3N3O3SM.W.:
383.35Type:
Small moleculeAlogP:
4.85Polar Surface Area:
72.48HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS- ALA2235012
Name:
1-(4-Fluorophenyl)-3-(6-trifluoromethoxybenzothiazol-2-yl)ureaMol. Formula:
C15H9F4N3O2SM.W.:
371.32Type:
Small moleculeAlogP:
4.98Polar Surface Area:
63.25HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2235011
Name:
4-Acetylamino-N-(6-trifluoromethoxybenzothiazol-2-yl)benzamideMol. Formula:
C17H12F3N3O3SM.W.:
395.36Type:
Small moleculeAlogP:
4.41Polar Surface Area:
80.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2235010
Name:
2,6-Difluoro-N-(6-trifluoromethoxybenzothiazol-2-yl)benzamideMol. Formula:
C15H7F5N2O2SM.W.:
374.29Type:
Small moleculeAlogP:
4.73Polar Surface Area:
51.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2235009
Name:
4-Cyano-N-(6-trifluoromethoxybenzothiazol-2-yl)benzamideMol. Formula:
C16H8F3N3O2SM.W.:
363.32Type:
Small moleculeAlogP:
4.32Polar Surface Area:
75.01HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA2235008
Name:
4-Methoxy-N-(6-trifluoromethoxybenzothiazol-2-yl)benzamideMol. Formula:
C16H11F3N2O3SM.W.:
368.34Type:
Small moleculeAlogP:
4.46Polar Surface Area:
60.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2235007
Name:
4-Fluoro-N-(6-trifluoromethoxybenzothiazol-2-yl)benzamideMol. Formula:
C15H8F4N2O2SM.W.:
356.30Type:
Small moleculeAlogP:
4.59Polar Surface Area:
51.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2235006
Name:
1-(2,6-Difluorophenyl)-3-(6-methoxybenzothiazol-2-yl)ureaMol. Formula:
C15H11F2N3O2SM.W.:
335.34Type:
Small moleculeAlogP:
4.23Polar Surface Area:
63.25HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA2235005
Name:
1-(4-Cyanophenyl)-3-(6-methoxybenzothiazol-2-yl)ureaMol. Formula:
C16H12N4O2SM.W.:
324.37Type:
Small moleculeAlogP:
3.82Polar Surface Area:
87.04HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2235004
Name:
1-(4-Methoxyphenyl)-3-(6-methoxybenzothiazol-2-yl)ureaMol. Formula:
C16H15N3O3SM.W.:
329.38Type:
Small moleculeAlogP:
3.96Polar Surface Area:
72.48HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2235003
Name:
1-(4-Fluorophenyl)-3-(6-methoxybenzothiazol-2-yl)ureaMol. Formula:
C15H12FN3O2SM.W.:
317.35Type:
Small moleculeAlogP:
4.09Polar Surface Area:
63.25HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2235002
Name:
4-Acetylamino-N-(6-methoxybenzothiazol-2-yl)benzamideMol. Formula:
C17H15N3O3SM.W.:
341.39Type:
Small moleculeAlogP:
3.52Polar Surface Area:
80.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2235001
Name:
2,6-Difluoro-N-(6-methoxybenzothiazol-2-yl)benzamideMol. Formula:
C15H10F2N2O2SM.W.:
320.32Type:
Small moleculeAlogP:
3.84Polar Surface Area:
51.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
-0.56Polar Surface Area:
132.28HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
3.23Polar Surface Area:
150.98HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
-0.56Polar Surface Area:
132.28HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.35DETAILS
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