Type:
UnknownAlogP:
4.08Polar Surface Area:
77.11HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
UnknownAlogP:
5.94Polar Surface Area:
99.13HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
UnknownAlogP:
5.89Polar Surface Area:
92.70HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS
ALA4218679Name:
trans-(5-methyl-2-(thiophen-3-yl)-4,5-dihydrothiazol-4-yl)methanolMol. Formula:
C9H11NOS2M.W.:
213.33Type:
Small moleculeAlogP:
1.99Polar Surface Area:
32.59HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
Small moleculeAlogP:
2.33Polar Surface Area:
50.19HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS- ALA4216246
Name:
trans-(5-methyl-2-(4-(octyloxy)phenyl)-4,5-dihydrothiazol-4-yl)methanolMol. Formula:
C19H29NO2SM.W.:
335.51Type:
Small moleculeAlogP:
4.67Polar Surface Area:
41.82HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4212246
Name:
trans-(2-(4-butoxyphenyl)-5-methyl-4,5-dihydrothiazol-4-yl)methanolMol. Formula:
C15H21NO2SM.W.:
279.41Type:
Small moleculeAlogP:
3.11Polar Surface Area:
41.82HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
41.04HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
41.04HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4207355
Name:
trans-(2-(4-(hexyloxy)phenyl)-5-methyl-4,5-dihydrothiazol-4-yl)methanolMol. Formula:
C17H25NO2SM.W.:
307.46Type:
Small moleculeAlogP:
3.89Polar Surface Area:
41.82HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4206939
Name:
trans-(5-methyl-2-(thiophen-2-yl)-4,5-dihydrothiazol-4-yl)methanolMol. Formula:
C9H11NOS2M.W.:
213.33Type:
Small moleculeAlogP:
1.99Polar Surface Area:
32.59HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4204576
Name:
trans-4-((1H-imidazol-4-yl)methyl)-5-methyl-2-phenyl-4,5-dihydrothiazoleMol. Formula:
C14H15N3SM.W.:
257.36Type:
Small moleculeAlogP:
2.90Polar Surface Area:
41.04HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.92DETAILS - ALA4204036
Name:
cis-4-((1H-imidazol-4-yl)methyl)-5-methyl-2-phenyl-4,5-dihydrothiazoleMol. Formula:
C14H15N3SM.W.:
257.36Type:
Small moleculeAlogP:
2.90Polar Surface Area:
41.04HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.92DETAILS -
Type:
Small moleculeAlogP:
1.04Polar Surface Area:
116.40HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
1.01Polar Surface Area:
154.29HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
0.39Polar Surface Area:
113.60HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.32Polar Surface Area:
122.39HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
-0.09Polar Surface Area:
124.60HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
1.45Polar Surface Area:
133.39HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
0.62Polar Surface Area:
154.29HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS
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