Compounds

Type:
---

AlogP:
4.01

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5196966

Name:
2-amino-3-bromo-5-[2-hydroxy-1-(3-hydroxypropylamino)ethyl]benzonitrile hydShow More⌵

Mol. Formula:
C13H19BrClN3O

M.W.:
348.67

Type:
---

AlogP:
2.33

Polar Surface Area:
82.07

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5205995

Name:
2-[4-amino-3-(benzenesulfonyl)-5-fluoro-phenyl]-2-(tert-butylamino)ethanol Show More⌵

Mol. Formula:
C18H24ClFN2O3S

M.W.:
402.92

Type:
---

AlogP:
2.66

Polar Surface Area:
92.42

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5205567

Name:
2-(4-amino-3-bromo-5-fluoro-phenyl)-2-(benzylamino)ethanol hydrochloride

Mol. Formula:
C15H17BrClFN2O

M.W.:
375.67

Type:
---

AlogP:
2.99

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5203966

Name:
2-(4-amino-3-bromo-5-fluoro-phenyl)-2-(isopropylamino)ethanol hydrochloride

Mol. Formula:
C11H17BrClFN2O

M.W.:
327.63

Type:
---

AlogP:
2.20

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5202197

Name:
2-[4-amino-3-(benzenesulfonyl)-5-(trifluoromethyl)phenyl]-2-(tert-butylaminShow More⌵

Mol. Formula:
C19H24ClF3N2O3S

M.W.:
452.93

Type:
---

AlogP:
3.54

Polar Surface Area:
92.42

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5201243

Name:
2-(4-amino-3-bromo-5-fluoro-phenyl)-2-[(4-fluorophenyl)methylamino]ethanol Show More⌵

Mol. Formula:
C15H16BrClF2N2O

M.W.:
393.66

Type:
---

AlogP:
3.13

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5201031

Name:
2-(4-amino-3-nitro-phenyl)-2-(tert-butylamino)ethanol hydrochloride

Mol. Formula:
C12H20ClN3O3

M.W.:
289.76

Type:
---

AlogP:
1.60

Polar Surface Area:
101.42

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5200823

Name:
2-amino-3-bromo-5-[1-(cyclopentylamino)-2-hydroxy-ethyl]benzonitrile hydrocShow More⌵

Mol. Formula:
C14H19BrClN3O

M.W.:
360.68

Type:
---

AlogP:
2.47

Polar Surface Area:
82.07

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5200165

Name:
2-(4-amino-3-bromo-5-fluoro-phenyl)-2-(cyclopentylamino)ethanol hydrochloriShow More⌵

Mol. Formula:
C13H19BrClFN2O

M.W.:
353.66

3 activity values

3 unique targets

Type:
---

AlogP:
2.74

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5208931

Name:
2-amino-3-bromo-5-[1-(3-ethoxypropylamino)-2-hydroxy-ethyl]benzonitrile hydShow More⌵

Mol. Formula:
C14H21BrClN3O2

M.W.:
378.70

Type:
---

AlogP:
1.95

Polar Surface Area:
91.30

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5196057

Name:
2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(5,6-diethylindan-2-yl)amShow More⌵

Mol. Formula:
C22H27Cl2F3N2O

M.W.:
463.37

Type:
---

AlogP:
4.86

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5195910

Name:
2-(4-amino-3-bromo-5-fluoro-phenyl)-2-(3-ethoxypropylamino)ethanol hydrochlShow More⌵

Mol. Formula:
C13H21BrClFN2O2

M.W.:
371.68

Type:
---

AlogP:
2.22

Polar Surface Area:
67.51

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5194956

Name:
2-(4-amino-3-fluoro-5-methylsulfonyl-phenyl)-2-(tert-butylamino)ethanol hydShow More⌵

Mol. Formula:
C13H22ClFN2O3S

M.W.:
340.85

Type:
---

AlogP:
1.23

Polar Surface Area:
92.42

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5194651

Name:
2-amino-3-bromo-5-[1-(tert-butylamino)-2-hydroxy-ethyl]benzonitrile hydrochShow More⌵

Mol. Formula:
C13H19BrClN3O

M.W.:
348.67

Type:
---

AlogP:
2.32

Polar Surface Area:
82.07

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5192613

Name:
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(isopropylamino)ethanol hydShow More⌵

Mol. Formula:
C12H17BrClF3N2O

M.W.:
377.63

Type:
---

AlogP:
3.08

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5192245

Name:
2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol hShow More⌵

Mol. Formula:
C13H19Cl2F3N2O

M.W.:
347.21

69 activity values

7 unique targets

Type:
---

AlogP:
3.36

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5191729

Name:
2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxypropylamino)ethanShow More⌵

Mol. Formula:
C14H21Cl2F3N2O2

M.W.:
377.23

Type:
---

AlogP:
2.99

Polar Surface Area:
67.51

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5190961

Name:
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(butylamino)ethanol hydrochShow More⌵

Mol. Formula:
C13H19BrClF3N2O

M.W.:
391.66

Type:
---

AlogP:
3.47

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5190852

Name:
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol hShow More⌵

Mol. Formula:
C14H19BrClF3N2O

M.W.:
403.67