Type:
---AlogP:
7.75Polar Surface Area:
71.59HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
---AlogP:
7.75Polar Surface Area:
71.59HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
---AlogP:
7.75Polar Surface Area:
71.59HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
---AlogP:
8.22Polar Surface Area:
71.59HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.11DETAILS
ALA3617216Name:
1-Cyclohexyl-3-[3-(trifluoromethyl)phenyl]thioureaMol. Formula:
C14H17F3N2SM.W.:
302.37Type:
Small moleculeAlogP:
4.32Polar Surface Area:
24.06HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS- ALA3617213
Name:
Exo-1-bicyclo[2.2.1]hept-2-yl-3-[3-(trifluoromethyl)phenyl]thioureaMol. Formula:
C16H17F3N2OSM.W.:
342.39Type:
Small moleculeAlogP:
3.95Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA3617212
Name:
N-{[3-(trifluoromethyl)phenyl]carbamothioyl}acetamideMol. Formula:
C10H9F3N2OSM.W.:
262.26Type:
Small moleculeAlogP:
2.54Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.76DETAILS - ALA3617126
Name:
Ethyl 4-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzoateMol. Formula:
C17H15F3N2O2SM.W.:
368.38Type:
Small moleculeAlogP:
4.69Polar Surface Area:
50.36HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA3617124
Name:
1-(4-Butyl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]thioureaMol. Formula:
C19H21F3N2SM.W.:
366.45Type:
Small moleculeAlogP:
6.17Polar Surface Area:
24.06HBA:
1HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2259977
Name:
4,5,6-Tribromo-2,3-dihydro-2,2-dimethyl-7-benzofuranolMol. Formula:
C10H9Br3O2M.W.:
400.89Type:
Small moleculeAlogP:
4.39Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
41.93HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
41.93HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.63Polar Surface Area:
45.17HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.87Polar Surface Area:
41.93HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.38Polar Surface Area:
50.72HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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