ALA3729099Name:
5-(3-(methylsulfonyl)phenyl)-4-(thiazol-2-ylthio)thieno[2,3-d]pyrimidineMol. Formula:
C16H11N3O2S4M.W.:
405.55Type:
Small moleculeAlogP:
4.37Polar Surface Area:
72.81HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
72.81HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
98.84HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
84.84HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA3729792Name:
5-(3-(methylsulfonyl)phenyl)-4-(pyridin-4-ylthio)thieno[2,3-d]pyrimidineMol. Formula:
C18H13N3O2S3M.W.:
399.52Type:
Small moleculeAlogP:
4.31Polar Surface Area:
72.81HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS- ALA3730832
Name:
5-(3-(methylsulfonyl)phenyl)-N-(thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amineMol. Formula:
C16H12N4O2S3M.W.:
388.50Type:
Small moleculeAlogP:
3.96Polar Surface Area:
84.84HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
3.76Polar Surface Area:
85.70HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.79Polar Surface Area:
88.60HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA3731341
Name:
5-(3-(methylsulfonyl)phenyl)-N-(pyridin-4-yl)thieno[2,3-d]pyrimidin-4-amineMol. Formula:
C18H14N4O2S2M.W.:
382.47Type:
Small moleculeAlogP:
3.90Polar Surface Area:
84.84HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
101.49HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
82.15HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
3.92Polar Surface Area:
97.73HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
5.52Polar Surface Area:
72.81HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
89.77HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
84.84HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
82.67HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
3.67Polar Surface Area:
97.73HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.60Polar Surface Area:
98.84HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
84.84HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
92.18HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS
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