Compounds

3 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
70.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

3S,4R-293B

Name:
Ethanesulfonic acid (S)-((S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-mShow More⌵

Mol. Formula:
C15H20N2O4S

M.W.:
324.40

22 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
90.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA13755

Name:
2-(5-Chloro-2-hydroxy-phenyl)-5-(3-chloro-4-trifluoromethyl-phenyl)-2,4-dihShow More⌵

Mol. Formula:
C15H8Cl2F3N3O2

M.W.:
390.15

2 activity values

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA13637

Name:
2-(5-Chloro-2-hydroxy-phenyl)-5-(2-trifluoromethyl-phenyl)-2,4-dihydro-[1,2Show More⌵

Mol. Formula:
C15H9ClF3N3O2

M.W.:
355.70

3 activity values

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA13855

Name:
5-(2,4-Bis-trifluoromethyl-phenyl)-2-(5-chloro-2-hydroxy-phenyl)-2,4-dihydrShow More⌵

Mol. Formula:
C16H8ClF6N3O2

M.W.:
423.70

3 activity values

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA14185

Name:
5-(3,5-Bis-trifluoromethyl-phenyl)-2-(5-chloro-2-hydroxy-phenyl)-2,4-dihydrShow More⌵

Mol. Formula:
C16H8ClF6N3O2

M.W.:
423.70

2 activity values

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA267802

Name:
2-(5-Chloro-2-hydroxy-phenyl)-5-phenyl-2,4-dihydro-[1,2,4]triazol-3-one

Mol. Formula:
C14H10ClN3O2

M.W.:
287.71

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA274837

Name:
2-(5-Chloro-2-hydroxy-phenyl)-5-(3-trifluoromethyl-phenyl)-2,4-dihydro-[1,2Show More⌵

Mol. Formula:
C15H9ClF3N3O2

M.W.:
355.70

2 activity values

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA8010

Name:
3-Fluoro-3-phenyl-1,3-dihydro-indol-2-one

Mol. Formula:
C14H10FNO

M.W.:
227.24

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA8172

Name:
3-Fluoro-3-phenyl-6-trifluoromethyl-1,3-dihydro-indol-2-one

Mol. Formula:
C15H9F4NO

M.W.:
295.24

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA8347

Name:
(R)-3-(5-Chloro-2-methoxy-phenyl)-3-fluoro-6-trifluoromethyl-1,3-dihydro-inShow More⌵

Mol. Formula:
C16H10ClF4NO2

M.W.:
359.71

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA8069

Name:
3-(2-Chloro-5-methoxy-phenyl)-3-fluoro-2-oxo-2,3-dihydro-1H-indole-7-carbonShow More⌵

Mol. Formula:
C16H10ClFN2O2

M.W.:
316.72

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
62.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA7986

Name:
3-(2-Chloro-5-methoxy-phenyl)-3-fluoro-7-trifluoromethyl-1,3-dihydro-indol-Show More⌵

Mol. Formula:
C16H10ClF4NO2

M.W.:
359.71

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA275699

Name:
3-(2-Chloro-5-methoxy-phenyl)-3-fluoro-7-iodo-1,3-dihydro-indol-2-one

Mol. Formula:
C15H10ClFINO2

M.W.:
417.61

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA266778

Name:
3-(2-Chloro-5-methoxy-phenyl)-3-fluoro-6-methyl-1,3-dihydro-indol-2-one

Mol. Formula:
C16H13ClFNO2

M.W.:
305.74

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA7662

Name:
3-(5-Chloro-2-methoxy-phenyl)-3-fluoro-6-trifluoromethyl-1,3-dihydro-indol-Show More⌵

Mol. Formula:
C16H10ClF4NO2

M.W.:
359.71

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA266994

Name:
3-(2-Chloro-5-methoxy-phenyl)-3,6-difluoro-1,3-dihydro-indol-2-one

Mol. Formula:
C15H10ClF2NO2

M.W.:
309.70

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA266993

Name:
6-Bromo-3-(2-chloro-5-methoxy-phenyl)-3-fluoro-1,3-dihydro-indol-2-one

Mol. Formula:
C15H10BrClFNO2

M.W.:
370.61