- ALA1213804
Name:
3-[2-(4-Bromo-phenyl)-2-oxo-ethylidene]-1,3-dihydro-indol-2-oneMol. Formula:
C16H10BrNO2M.W.:
328.17Type:
Small moleculeAlogP:
3.67Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA1171239
Name:
2-bromo-N-(4-chlorophenyl)-N-(2,5-dichlorothiophen-3-ylsulfonyl)acetamideMol. Formula:
C12H7BrCl3NO3S2M.W.:
463.59Type:
Small moleculeAlogP:
4.83Polar Surface Area:
54.45HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA1171238
Name:
2-bromo-N-(2,5-dichlorothiophen-3-ylsulfonyl)-N-phenylacetamideMol. Formula:
C12H8BrCl2NO3S2M.W.:
429.14Type:
Small moleculeAlogP:
4.17Polar Surface Area:
54.45HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA1171237
Name:
2-dichloro-N-p-tolyl-N-(2,4,5-trichlorothiophen-3-ylsulfonyl)acetamideMol. Formula:
C13H9Cl4NO3S2M.W.:
433.17Type:
Small moleculeAlogP:
4.98Polar Surface Area:
54.45HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS Type:
Small moleculeAlogP:
4.63Polar Surface Area:
54.45HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS- ALA1172361
Name:
2,2-dichloro-N-(2,5-dichlorothiophen-3-ylsulfonyl)-N-p-tolylacetamideMol. Formula:
C13H9Cl4NO3S2M.W.:
433.17Type:
Small moleculeAlogP:
4.89Polar Surface Area:
54.45HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS Type:
Small moleculeAlogP:
6.93Polar Surface Area:
46.17HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS- ALA1171589
Name:
2,5-dichloro-N-phenyl-N-(trichloromethylthio)thiophene-3-sulfonamideMol. Formula:
C11H6Cl5NO2S3M.W.:
457.64Type:
Small moleculeAlogP:
6.23Polar Surface Area:
37.38HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA1172329
Name:
2,5-dichloro-N-p-tolyl-N-(trichloromethylthio)thiophene-3-sulfonamideMol. Formula:
C12H8Cl5NO2S3M.W.:
471.67Type:
Small moleculeAlogP:
6.53Polar Surface Area:
37.38HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA1172328
Name:
2,4,5-trichloro-N-(4-chlorophenyl)thiophene-3-sulfonamideMol. Formula:
C10H5Cl4NO2S2M.W.:
377.10Type:
Small moleculeAlogP:
5.16Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA1172132
Name:
2,5-dichloro-N-(3,5-dichlorophenyl)thiophene-3-sulfonamideMol. Formula:
C10H5Cl4NO2S2M.W.:
377.10Type:
Small moleculeAlogP:
5.16Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS Type:
Small moleculeAlogP:
4.56Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS- ALA1171972
Name:
2,5-dichloro-N-p-tolylthiophene-3-sulfonamideMol. Formula:
C11H9Cl2NO2S2M.W.:
322.24Type:
Small moleculeAlogP:
4.16Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA1171971
Name:
2,5-dichloro-N-phenylthiophene-3-sulfonamideMol. Formula:
C10H7Cl2NO2S2M.W.:
308.21Type:
Small moleculeAlogP:
3.86Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS - 5-chloro-4-nitrothiophene-2-sulfonamide
Name:
5-chloro-4-nitrothiophene-2-sulfonamideMol. Formula:
C4H3ClN2O4S2M.W.:
242.66Type:
Small moleculeAlogP:
0.96Polar Surface Area:
103.30HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1171970
Name:
4-methoxy-N-(3-(trifluoromethyl)phenyl)benzenesulfonamideMol. Formula:
C14H12F3NO3SM.W.:
331.31Type:
Small moleculeAlogP:
3.51Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA1171969
Name:
2,4,5-trichloro-N-(3-(trifluoromethyl)phenyl)benzenesulfonamideMol. Formula:
C13H7Cl3F3NO2SM.W.:
404.62Type:
Small moleculeAlogP:
5.47Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA1170012
Name:
4-methyl-N-(3-(trifluoromethyl)phenyl)benzenesulfonamideMol. Formula:
C14H12F3NO2SM.W.:
315.32Type:
Small moleculeAlogP:
3.81Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA1170011
Name:
4-(trifluoromethyl)-N-(4-(trifluoromethyl)phenyl)benzenesulfonamideMol. Formula:
C14H9F6NO2SM.W.:
369.29Type:
Small moleculeAlogP:
4.53Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA1171400
Name:
4-chloro-N-(3-(trifluoromethyl)phenyl)benzenesulfonamideMol. Formula:
C13H9ClF3NO2SM.W.:
335.73Type:
Small moleculeAlogP:
4.16Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS