ALA4878755Name:
1-(4-carboxyphenethyl)-5-nitro-1H-indole-3-carboxylic acidMol. Formula:
C18H14N2O6M.W.:
354.32Type:
UnknownAlogP:
3.19Polar Surface Area:
122.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
UnknownAlogP:
3.30Polar Surface Area:
85.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA4877434Name:
1-benzyl-5-sulfamoyl-1H-indole-2-carboxylic acidMol. Formula:
C16H14N2O4SM.W.:
330.37Type:
UnknownAlogP:
2.04Polar Surface Area:
102.39HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA4875073Name:
5-nitro-1-(4-phenylbutyl)-1H-indole-2-carboxylic acidMol. Formula:
C19H18N2O4M.W.:
338.36Type:
UnknownAlogP:
4.27Polar Surface Area:
85.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA4874805Name:
5-nitro-1-phenethyl-1H-indole-2-carboxylic acidMol. Formula:
C17H14N2O4M.W.:
310.31Type:
UnknownAlogP:
3.49Polar Surface Area:
85.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS-
Type:
UnknownAlogP:
3.30Polar Surface Area:
85.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4871956
Name:
1-benzyl-5-(dibenzylamino)-1H-indole-2-carboxylic acidMol. Formula:
C30H26N2O2M.W.:
446.55Type:
UnknownAlogP:
6.59Polar Surface Area:
45.47HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4870692
Name:
1-phenethyl-5-(N-phenethylsulfamoyl)-1H-indole-2-carboxylic acidMol. Formula:
C25H24N2O4SM.W.:
448.54Type:
UnknownAlogP:
4.10Polar Surface Area:
88.40HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4869102
Name:
1-(4-carboxybenzyl)-5-nitro-1H-indole-3-carboxylic acidMol. Formula:
C17H12N2O6M.W.:
340.29Type:
UnknownAlogP:
2.99Polar Surface Area:
122.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4867259
Name:
1-benzyl-5-(N-benzylsulfamoyl)-1H-indole-2-carboxylic acidMol. Formula:
C23H20N2O4SM.W.:
420.49Type:
UnknownAlogP:
3.87Polar Surface Area:
88.40HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4867241
Name:
5-nitro-1-(5-phenylpentyl)-1H-indole-3-carboxylic acidMol. Formula:
C20H20N2O4M.W.:
352.39Type:
UnknownAlogP:
4.66Polar Surface Area:
85.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4866901
Name:
5-nitro-1-phenethyl-1H-indole-3-carboxylic acidMol. Formula:
C17H14N2O4M.W.:
310.31Type:
UnknownAlogP:
3.49Polar Surface Area:
85.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4866302
Name:
1-benzyl-5-(dibenzylamino)-1H-indole-3-carboxylic acidMol. Formula:
C30H26N2O2M.W.:
446.55Type:
UnknownAlogP:
6.59Polar Surface Area:
45.47HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4864285
Name:
1-(4-carboxybenzyl)-5-sulfamoyl-1H-indole-2-carboxylic acidMol. Formula:
C17H14N2O6SM.W.:
374.37Type:
UnknownAlogP:
1.73Polar Surface Area:
139.69HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4863204
Name:
5-nitro-1-(5-phenylpentyl)-1H-indole-2-carboxylic acidMol. Formula:
C20H20N2O4M.W.:
352.39Type:
UnknownAlogP:
4.66Polar Surface Area:
85.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4862099
Name:
5-nitro-1-(3-phenylpropyl)-1H-indole-3-carboxylic acidMol. Formula:
C18H16N2O4M.W.:
324.34Type:
UnknownAlogP:
3.88Polar Surface Area:
85.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4860755
Name:
5-(N-benzyl-N-phenethylsulfamoyl)-1-phenethyl-1H-indole-2-carboxylic acidMol. Formula:
C32H30N2O4SM.W.:
538.67Type:
UnknownAlogP:
6.02Polar Surface Area:
79.61HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4860497
Name:
5-(N,N-dibenzylsulfamoyl)-1-phenethyl-1H-indole-2-carboxylic acidMol. Formula:
C31H28N2O4SM.W.:
524.64Type:
UnknownAlogP:
5.97Polar Surface Area:
79.61HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4858078
Name:
1-(4-carboxybenzyl)-5-nitro-1H-indole-2-carboxylic acidMol. Formula:
C17H12N2O6M.W.:
340.29Type:
UnknownAlogP:
2.99Polar Surface Area:
122.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4855637
Name:
ethyl 1-phenethyl-5-sulfamoyl-1H-indole-2-carboxylateMol. Formula:
C19H20N2O4SM.W.:
372.45Type:
UnknownAlogP:
2.71Polar Surface Area:
91.39HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS
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