Type:
---AlogP:
2.85Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
UnknownAlogP:
3.66Polar Surface Area:
82.21HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA4076511Name:
sodium 2-(5-(1,2-dithiolan-3-yl)pentanamido)ethanesulfonateMol. Formula:
C10H18NNaO4S3M.W.:
335.45Type:
Small moleculeAlogP:
1.70Polar Surface Area:
83.47HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA4075122Name:
sodium 4-(5-(1,2-dithiolan-3-yl)pentanamido)butane-1-sulfonateMol. Formula:
C12H22NNaO4S3M.W.:
363.50Type:
Small moleculeAlogP:
2.48Polar Surface Area:
83.47HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA3984906Name:
1-Hydroxy-6-(2'-methoxybiphenyl-4-yl)-4-methylpyridin-2(1H)-oneMol. Formula:
C19H17NO3M.W.:
307.35Type:
Small moleculeAlogP:
3.74Polar Surface Area:
51.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS- ALA3969434
Name:
1-Hydroxy-6-(4-methoxyphenyl)-4-methylpyridin-2(1H)-oneMol. Formula:
C13H13NO3M.W.:
231.25Type:
Small moleculeAlogP:
2.07Polar Surface Area:
51.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA3965314
Name:
6-(Biphenyl-3-yl)-1-hydroxy-4-methylpyridin-2(1H)-oneMol. Formula:
C18H15NO2M.W.:
277.32Type:
Small moleculeAlogP:
3.73Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3964897
Name:
6-(4'-tert-Butylbiphenyl-4-yl)-1-hydroxy-4-methylpyridin-2(1H)-oneMol. Formula:
C22H23NO2M.W.:
333.43Type:
Small moleculeAlogP:
5.03Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA3949717
Name:
1-Hydroxy-4-methyl-6-(naphthalen-2-yl)pyridin-2(1H)-oneMol. Formula:
C16H13NO2M.W.:
251.29Type:
Small moleculeAlogP:
3.21Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA3948648
Name:
6-(3-Fluorophenyl)-1-hydroxy-4-methylpyridin-2(1H)-oneMol. Formula:
C12H10FNO2M.W.:
219.22Type:
Small moleculeAlogP:
2.20Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.75DETAILS - ALA3939887
Name:
1-Hydroxy-4-methyl-6-(3-nitrophenyl)pyridin-2(1H)-oneMol. Formula:
C12H10N2O4M.W.:
246.22Type:
Small moleculeAlogP:
1.97Polar Surface Area:
85.37HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3930879
Name:
6-(Biphenyl-4-yl)-1-hydroxy-4-methylpyridin-2(1H)-oneMol. Formula:
C18H15NO2M.W.:
277.32Type:
Small moleculeAlogP:
3.73Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3926162
Name:
1-Hydroxy-4-methyl-6-(2'-methylbiphenyl-4-yl)pyridin-2(1H)-oneMol. Formula:
C19H17NO2M.W.:
291.35Type:
Small moleculeAlogP:
4.04Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3925808
Name:
6-(4-Fluorophenyl)-1-hydroxy-4-methylpyridin-2(1H)-oneMol. Formula:
C12H10FNO2M.W.:
219.22Type:
Small moleculeAlogP:
2.20Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.75DETAILS - ALA3921945
Name:
1-Hydroxy-4-methyl-6-(4-(naphthalen-1-yl)phenyl)pyridin-2(1H)-oneMol. Formula:
C22H17NO2M.W.:
327.38Type:
Small moleculeAlogP:
4.88Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA3915112
Name:
6-(4'-Chlorobiphenyl-4-yl)-1-hydroxy-4-methylpyridin-2(1H)-oneMol. Formula:
C18H14ClNO2M.W.:
311.77Type:
Small moleculeAlogP:
4.38Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
2.65Polar Surface Area:
38.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA1834484
Name:
3-(2-chloro-4-fluorobenzylthio)-6-(pyridin-2-yl)pyridazineMol. Formula:
C16H11ClFN3SM.W.:
331.80Type:
Small moleculeAlogP:
4.62Polar Surface Area:
38.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA1834483
Name:
3-(2-chloro-4-fluorophenylthio)-6-(pyridin-2-yl)pyridazineMol. Formula:
C15H9ClFN3SM.W.:
317.78Type:
Small moleculeAlogP:
4.48Polar Surface Area:
38.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA1834177
Name:
3-(2,6-dimethylbenzylthio)-6-(pyridin-2-yl)pyridazineMol. Formula:
C18H17N3SM.W.:
307.42Type:
Small moleculeAlogP:
4.45Polar Surface Area:
38.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS
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