ALA4294242Name:
(1S,2R)-2-Amino-1-((1S)-1-ethyl(carboxymethyl))cyclopropaneMol. Formula:
C7H13NO2M.W.:
143.19Type:
Small moleculeAlogP:
0.44Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA4293835Name:
(1S,2R)-2-Amino-1-((1S)-1-methyl(carboxymethyl))cyclopropaneMol. Formula:
C6H11NO2M.W.:
129.16Type:
Small moleculeAlogP:
0.05Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA4290425Name:
(1R,2R)-2-Amino-1-((1R)-1-hydroxy(carboxymethyl))cyclopropaneMol. Formula:
C5H9NO3M.W.:
131.13Type:
Small moleculeAlogP:
-1.22Polar Surface Area:
83.55HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA4285945Name:
(1S,2R)-2-Amino-1-((1R)-1-vinyl(carboxymethyl))cyclopropaneMol. Formula:
C7H11NO2M.W.:
141.17Type:
Small moleculeAlogP:
0.22Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA4102978Name:
2,4-Dichloro-N-(1-(2-nitrobenzyl)piperidin-4-yl)benzamideMol. Formula:
C19H19Cl2N3O3M.W.:
408.29Type:
Small moleculeAlogP:
4.30Polar Surface Area:
75.48HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS- ALA4101561
Name:
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamideMol. Formula:
C14H18Cl2N2OM.W.:
301.22Type:
Small moleculeAlogP:
3.21Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA4097791
Name:
2,4-Dichloro-N-(1-(4-cyanobenzyl)piperidin-4-yl)benzamideMol. Formula:
C20H19Cl2N3OM.W.:
388.30Type:
Small moleculeAlogP:
4.26Polar Surface Area:
56.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4097124
Name:
2,4-Dichloro-N-(1-(quinolin-2-ylmethyl)piperidin-4-yl)benzamideMol. Formula:
C22H21Cl2N3OM.W.:
414.34Type:
Small moleculeAlogP:
4.94Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4091409
Name:
2,4-Dichloro-N-(1-(2-cyanobenzyl)piperidin-4-yl)benzamideMol. Formula:
C20H19Cl2N3OM.W.:
388.30Type:
Small moleculeAlogP:
4.26Polar Surface Area:
56.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4091169
Name:
1-Benzyl-N-(2,4-dichlorobenzyl)piperidin-4-amineMol. Formula:
C19H22Cl2N2M.W.:
349.30Type:
Small moleculeAlogP:
4.75Polar Surface Area:
15.27HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4090080
Name:
Methyl 4-((4-(2,4-dichlorobenzamido)piperidin-1-yl)methyl)benzoateMol. Formula:
C21H22Cl2N2O3M.W.:
421.32Type:
Small moleculeAlogP:
4.17Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
3.51Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA4079046
Name:
2,4-Dichloro-N-(1-(pyridin-4-ylmethyl)piperidin-4-yl)benzamideMol. Formula:
C18H19Cl2N3OM.W.:
364.28Type:
Small moleculeAlogP:
3.78Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4078727
Name:
N-(1-benzylpiperidin-4-yl)-3-(trifluoromethyl)benzamideMol. Formula:
C20H21F3N2OM.W.:
362.39Type:
Small moleculeAlogP:
4.10Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA4077212
Name:
2,4-Dichloro-N-(1-(prop-2-ynyl)piperidin-4-yl)benzamideMol. Formula:
C15H16Cl2N2OM.W.:
311.21Type:
Small moleculeAlogP:
2.82Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
4.81Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4076258
Name:
2,4-dichloro-N-(1-(3-cyanopropyl)piperidin-4-yl)benzamideMol. Formula:
C16H19Cl2N3OM.W.:
340.25Type:
Small moleculeAlogP:
3.49Polar Surface Area:
56.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4075865
Name:
2-(4-(2,4-Dichlorobenzamido)piperidin-1-yl)acetic acidMol. Formula:
C14H16Cl2N2O3M.W.:
331.20Type:
Small moleculeAlogP:
2.27Polar Surface Area:
69.64HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS
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