ALA4130271Name:
N-((4-(N-(Pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)heptanamideMol. Formula:
C18H23N5O3S2M.W.:
421.55Type:
Small moleculeAlogP:
3.06Polar Surface Area:
113.08HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA4129688Name:
4-Methoxy-N-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)benzamideMol. Formula:
C19H17N5O4S2M.W.:
443.51Type:
Small moleculeAlogP:
2.41Polar Surface Area:
122.31HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
5.28Polar Surface Area:
106.81HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS
ALA4129331Name:
4-Chloro-N-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)benzamideMol. Formula:
C18H14ClN5O3S2M.W.:
447.93Type:
Small moleculeAlogP:
3.06Polar Surface Area:
113.08HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
113.08HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS- ALA4128081
Name:
2-Chloro-N-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)benzamideMol. Formula:
C18H14ClN5O3S2M.W.:
447.93Type:
Small moleculeAlogP:
3.06Polar Surface Area:
113.08HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4126997
Name:
N-((4-(N-(Pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)octanamideMol. Formula:
C19H25N5O3S2M.W.:
435.58Type:
Small moleculeAlogP:
3.45Polar Surface Area:
113.08HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA4126859
Name:
N-((4-(N-(Pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)butyramideMol. Formula:
C15H17N5O3S2M.W.:
379.47Type:
Small moleculeAlogP:
1.89Polar Surface Area:
113.08HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
2.22Polar Surface Area:
199.36HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4125873
Name:
4-Fluoro-N-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)benzamideMol. Formula:
C18H14FN5O3S2M.W.:
431.47Type:
Small moleculeAlogP:
2.54Polar Surface Area:
113.08HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4097906
Name:
1-(4-Methoxybenzyl)-6-nitro-2,3-dip-tolylquinolin-4(1H)-oneMol. Formula:
C31H26N2O4M.W.:
490.56Type:
Small moleculeAlogP:
6.92Polar Surface Area:
74.37HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA4076852
Name:
1-(4-Methoxybenzyl)-3-(4-methoxyphenyl)-6-nitro-2-ptolylquinolin-4(1H)-oneMol. Formula:
C31H26N2O5M.W.:
506.56Type:
Small moleculeAlogP:
6.62Polar Surface Area:
83.60HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA605104
Name:
2-(3-(4-cyanophenoxy)benzo[b]thiophen-2-yl)benzonitrileMol. Formula:
C22H12N2OSM.W.:
352.42Type:
Small moleculeAlogP:
6.10Polar Surface Area:
56.81HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.36Polar Surface Area:
32.29HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
5.72Polar Surface Area:
78.67HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA594485
Name:
2-(3-(4-fluorophenoxy)benzo[b]thiophen-2-yl)benzonitrileMol. Formula:
C21H12FNOSM.W.:
345.40Type:
Small moleculeAlogP:
6.37Polar Surface Area:
33.02HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA594483
Name:
2-(3-(aminomethyl)benzo[b]thiophen-2-yl)-5-methoxyanilineMol. Formula:
C16H16N2OSM.W.:
284.38Type:
Small moleculeAlogP:
3.62Polar Surface Area:
61.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA594610
Name:
(2-(pyridin-3-yl)benzo[b]thiophen-3-yl)methanamineMol. Formula:
C14H12N2SM.W.:
240.33Type:
Small moleculeAlogP:
3.42Polar Surface Area:
38.91HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA594704
Name:
2-(4-(benzo[b]thiophen-3-yl)piperazin-1-yl)phenolMol. Formula:
C18H18N2OSM.W.:
310.42Type:
Small moleculeAlogP:
3.93Polar Surface Area:
26.71HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
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