ALA2114475Name:
(R)-2-Amino-3-(4-methyl-benzylselanyl)-propionic acidMol. Formula:
C11H15NO2SeM.W.:
272.21Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA1950317Name:
3-(2-Carboxyethyl)-5-methyl-1H-indole-2-carboxylic acidMol. Formula:
C13H13NO4M.W.:
247.25Type:
Small moleculeAlogP:
2.19Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA1950316Name:
3-(2-Carboxyethyl)-5-nitro-1H-indole-2-carboxylic acidMol. Formula:
C12H10N2O6M.W.:
278.22Type:
Small moleculeAlogP:
1.79Polar Surface Area:
133.53HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS- ALA1950315
Name:
5-Bromo-3-(2-carboxyethyl)-1H-indole-2-carboxylic acidMol. Formula:
C12H10BrNO4M.W.:
312.12Type:
Small moleculeAlogP:
2.65Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA1950179
Name:
6-Ethoxy-5-(2-(4-iodophenyl)hydrazono)-6-oxohexanoic acidMol. Formula:
C14H17IN2O4M.W.:
404.20Type:
Small moleculeAlogP:
2.88Polar Surface Area:
87.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA1950178
Name:
5-(2-(3-Chlorophenyl)hydrazono)-6-ethoxy-6-oxohexanoic acidMol. Formula:
C14H17ClN2O4M.W.:
312.75Type:
Small moleculeAlogP:
2.93Polar Surface Area:
87.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA1950177
Name:
6-Ethoxy-5-(2-(4-methoxyphenyl)hydrazono)-6-oxohexanoic acidMol. Formula:
C15H20N2O5M.W.:
308.33Type:
Small moleculeAlogP:
2.28Polar Surface Area:
97.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA1950176
Name:
6-Ethoxy-6-oxo-5-(2-p-tolylhydrazono)hexanoic acidMol. Formula:
C15H20N2O4M.W.:
292.33Type:
Small moleculeAlogP:
2.58Polar Surface Area:
87.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA1950175
Name:
6-Ethoxy-5-(2-(4-nitrophenyl)hydrazono)-6-oxohexanoic acidMol. Formula:
C14H17N3O6M.W.:
323.31Type:
Small moleculeAlogP:
2.18Polar Surface Area:
131.13HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA1950174
Name:
5-(2-(4-Bromophenyl)hydrazono)-6-ethoxy-6-oxohexanoic acidMol. Formula:
C14H17BrN2O4M.W.:
357.20Type:
Small moleculeAlogP:
3.04Polar Surface Area:
87.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA1950173
Name:
5-(2-(4-Chlorophenyl)hydrazono)-6-ethoxy-6-oxohexanoic acidMol. Formula:
C14H17ClN2O4M.W.:
312.75Type:
Small moleculeAlogP:
2.93Polar Surface Area:
87.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
1.36Polar Surface Area:
70.16HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
1.16Polar Surface Area:
73.32HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.27Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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