Type:
Small moleculeAlogP:
2.90Polar Surface Area:
83.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
Small moleculeAlogP:
5.99Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
Small moleculeAlogP:
5.60Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA114374Name:
Pyrazine-2-carboxylic acid sec-butyl esterCas Number:
179487-90-2Mol. Formula:
C9H12N2O2M.W.:
180.21Type:
Small moleculeAlogP:
1.43Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
5.21Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS-
Type:
Small moleculeAlogP:
5.21Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.82Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA117948
Name:
5-Fluoro-pyrazine-2-carboxylic acid methyl esterCas Number:
169335-35-7Mol. Formula:
C6H5FN2O2M.W.:
156.12Type:
Small moleculeAlogP:
0.40Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.65Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
5.99Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
5.60Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA326152
Name:
5-Chloro-pyrazine-2-carboxylic acid pentyl esterMol. Formula:
C10H13ClN2O2M.W.:
228.68Type:
Small moleculeAlogP:
2.48Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA442015
Name:
5-Chloro-pyrazine-2-carboxylic acid hexyl esterMol. Formula:
C11H15ClN2O2M.W.:
242.71Type:
Small moleculeAlogP:
2.87Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA419950
Name:
5-Chloro-pyrazine-2-carboxylic acid heptyl esterMol. Formula:
C12H17ClN2O2M.W.:
256.73Type:
Small moleculeAlogP:
3.26Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA114998
Name:
5-Chloro-pyrazine-2-carboxylic acid isobutyl esterCas Number:
169335-49-3Mol. Formula:
C9H11ClN2O2M.W.:
214.65Type:
Small moleculeAlogP:
1.94Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
2.09Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA333384
Name:
5-Chloro-pyrazine-2-carboxylic acid benzyl esterMol. Formula:
C12H9ClN2O2M.W.:
248.67Type:
Small moleculeAlogP:
2.49Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
5.60Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
5.99Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA326351
Name:
Pyrazine-2-carboxylic acid isobutyl esterCas Number:
158905-14-7Mol. Formula:
C9H12N2O2M.W.:
180.21Type:
Small moleculeAlogP:
1.29Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
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