ALA5086989Name:
3-(2-carboxyethyl)-4,6-dichloro-1H-indene-2-carboxylic acidMol. Formula:
C13H10Cl2O4M.W.:
301.13Type:
UnknownAlogP:
3.25Polar Surface Area:
74.60HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
UnknownAlogP:
8.56Polar Surface Area:
100.13HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS
ALA4218958Name:
3-(2-Carboxyethyl)-5-isopropyl-1H-indole-2-carboxylic acidMol. Formula:
C15H17NO4M.W.:
275.30Type:
Small moleculeAlogP:
3.01Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA4218936Name:
6-benzyl-3-(2-carboxyethyl)-1H-indole-2-carboxylic acidMol. Formula:
C19H17NO4M.W.:
323.35Type:
Small moleculeAlogP:
3.47Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA4218582Name:
3-(2-Carboxyethyl)-7-fluoro-6-(furan-2-yl)-1H-indole-2-carboxylic acidMol. Formula:
C16H12FNO5M.W.:
317.27Type:
Small moleculeAlogP:
3.28Polar Surface Area:
103.53HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS- ALA4218030
Name:
3-(2-Carboxyethyl)-6-(thiophen-2-yl)-1H-indole-2-carboxylic acidMol. Formula:
C16H13NO4SM.W.:
315.35Type:
Small moleculeAlogP:
3.61Polar Surface Area:
90.39HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4217997
Name:
3-(2-Carboxyethyl)-4,5,7-trichloro-1H-indole-2-carboxylic acidMol. Formula:
C12H8Cl3NO4M.W.:
336.56Type:
Small moleculeAlogP:
3.84Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4217194
Name:
4-Bromo-3-(2-carboxyethyl)-6-fluoro-1H-indole-2-carboxylic AcidMol. Formula:
C12H9BrFNO4M.W.:
330.11Type:
Small moleculeAlogP:
2.78Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4216766
Name:
3-(2-Carboxyethyl)-6-chloro-4-(octyloxy)-1H-indole-2-carboxylic acidMol. Formula:
C20H26ClNO5M.W.:
395.88Type:
Small moleculeAlogP:
5.28Polar Surface Area:
99.62HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4216761
Name:
6-Bromo-3-(2-carboxyethyl)-4-fluoro-1H-indole-2-carboxylic AcidMol. Formula:
C12H9BrFNO4M.W.:
330.11Type:
Small moleculeAlogP:
2.78Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4216104
Name:
3-(2-Carboxyethyl)-6,7-dichloro-1H-indole-2-carboxylic acidMol. Formula:
C12H9Cl2NO4M.W.:
302.11Type:
Small moleculeAlogP:
3.19Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4215819
Name:
3-(2-Carboxyethyl)-6-fluoro-4-iodo-1H-indole-2-carboxylic AcidMol. Formula:
C12H9FINO4M.W.:
377.11Type:
Small moleculeAlogP:
2.63Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4215280
Name:
3-(2-carboxyethyl)-4-chloro-6-hexyl-oxy-1H-indole-2-carboxylic acidMol. Formula:
C18H22ClNO5M.W.:
367.83Type:
Small moleculeAlogP:
4.50Polar Surface Area:
99.62HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4214544
Name:
3-(2-Carboxyethyl)-4,7-dichloro-1H-indole-2-carboxylic acidMol. Formula:
C12H9Cl2NO4M.W.:
302.11Type:
Small moleculeAlogP:
3.19Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4213645
Name:
3-(2-Carboxyethyl)-7-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acidMol. Formula:
C18H13F2NO4M.W.:
345.30Type:
Small moleculeAlogP:
3.83Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4211988
Name:
3-(2-Carboxyethyl)-4-methoxy-1H-indole-2-carboxylic acidMol. Formula:
C13H13NO5M.W.:
263.25Type:
Small moleculeAlogP:
1.89Polar Surface Area:
99.62HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4211793
Name:
6-Bromo-3-(2-carboxyethyl)-7-fluoro-1H-indole-2-carboxylic AcidMol. Formula:
C12H9BrFNO4M.W.:
330.11Type:
Small moleculeAlogP:
2.78Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4211381
Name:
3-(2-Carboxyethyl)-4-chloro-6-(4-fluorophenyl)-1H-indole-2-carboxylic AcidMol. Formula:
C18H13ClFNO4M.W.:
361.76Type:
Small moleculeAlogP:
4.34Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4210864
Name:
3-(2-Carboxyethyl)-6-chloro-4-(4-fluorophenyl)-1H-indole-2-carboxylic AcidMol. Formula:
C18H13ClFNO4M.W.:
361.76Type:
Small moleculeAlogP:
4.34Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4210182
Name:
3-(2-Carboxyethyl)-7-fluoro-6-(thiophen-2-yl)-1H-indole-2-carboxylic acidMol. Formula:
C16H12FNO4SM.W.:
333.34Type:
Small moleculeAlogP:
3.75Polar Surface Area:
90.39HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS
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