ALA3143515Name:
2-Benzylamino-hexanoic acid (1-methylcarbamoyl-pentyl)-amide (0.25H2O)Mol. Formula:
C20H33N3O2M.W.:
347.50Type:
Small moleculeAlogP:
2.76Polar Surface Area:
70.23HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
2.39Polar Surface Area:
84.22HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA2372349Name:
2-(2-Methylamino-hexanoylamino)-hexanoic acid methyl esterMol. Formula:
C14H29BrN2O3M.W.:
353.30Type:
Small moleculeAlogP:
1.61Polar Surface Area:
67.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
-0.16Polar Surface Area:
89.42HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
2.34Polar Surface Area:
84.22HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA2371270
Name:
2-[(2-amino-3-methylbutanoyl)amino]-3-(2-naphthyl)propanoic acid (0.75H2O)Mol. Formula:
C18H22N2O3M.W.:
314.39Type:
Small moleculeAlogP:
1.93Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2371269
Name:
2-Amino-3-methyl-N-(2-methyl-1-methylcarbamoyl-propyl)-butyramideMol. Formula:
C11H23N3O2M.W.:
229.32Type:
Small moleculeAlogP:
-0.14Polar Surface Area:
84.22HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA2371268
Name:
2-(2-Amino-3-methyl-butyrylamino)-3-cyclohexyl-propionic acid (CF3COOH)Mol. Formula:
C14H26N2O3M.W.:
270.37Type:
Small moleculeAlogP:
1.51Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA2371267
Name:
2-{[1-(2-Amino-propionyl)-pyrrolidine-2-carbonyl]-amino}-propionic acidMol. Formula:
C11H19N3O4M.W.:
257.29Type:
ProteinAlogP:
-1.09Polar Surface Area:
112.73HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
0.58Polar Surface Area:
112.65HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2371263
Name:
2-(2-Amino-3-methyl-butyrylamino)-4-methylsulfanyl-butyric acidMol. Formula:
C10H20N2O3SM.W.:
248.35Type:
Small moleculeAlogP:
0.29Polar Surface Area:
92.42HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2371262
Name:
2-(2-Amino-3-methyl-butyrylamino)-hexanoic acidMol. Formula:
C11H22N2O3M.W.:
230.31Type:
Small moleculeAlogP:
0.73Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2371261
Name:
2-(2-Amino-3-methyl-butyrylamino)-pentanoic acid (0.25C2H5OH)Mol. Formula:
C10H20N2O3M.W.:
216.28Type:
Small moleculeAlogP:
0.34Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2371259
Name:
2-(2-Benzylamino-3-methyl-butyrylamino)-pentanoic acid (COOH)2 .0.5H2OMol. Formula:
C17H26N2O3M.W.:
306.41Type:
Small moleculeAlogP:
2.17Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
ProteinAlogP:
-0.46Polar Surface Area:
179.05HBA:
7HBD:
6#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
ProteinAlogP:
0.48Polar Surface Area:
137.31HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
1.26Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA2371255
Name:
2-(2-Acetylamino-3-methyl-butyrylamino)-pentanoic acidMol. Formula:
C12H22N2O4M.W.:
258.32Type:
Small moleculeAlogP:
0.52Polar Surface Area:
95.50HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2371254
Name:
2-(2-Amino-3-methyl-butyrylamino)-pentanoic acid butylamideMol. Formula:
C14H29N3O2M.W.:
271.40Type:
Small moleculeAlogP:
1.17Polar Surface Area:
84.22HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
0.44Polar Surface Area:
84.22HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS
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