Compounds

ALA4229235

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(2-(pyridin-3-ylamino)ethyl)cyclopropanecShow More⌵

Mol. Formula:
C19H22FN3O

M.W.:
327.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
54.02

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4229207

Name:
4-((3-(4-fluorophenyl)-2,2-dimethylcyclopropanecarboxamido)methyl)cyclohexaShow More⌵

Mol. Formula:
C20H26FNO3

M.W.:
347.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4229126

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-((2-methylpyridin-4-yl)methyl)cyclopropanShow More⌵

Mol. Formula:
C19H21FN2O

M.W.:
312.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4228972

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-((1-methyl-2-(methylthio)-1H-imidazol-5-yShow More⌵

Mol. Formula:
C18H22FN3OS

M.W.:
347.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
46.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4228930

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(2-methyl-3-oxo-2,9-diazaspiro[5.5]undecaShow More⌵

Mol. Formula:
C22H30FN3O2

M.W.:
387.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4228872

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(3-(6-methyl-2-oxopyridin-1(2H)-yl)propylShow More⌵

Mol. Formula:
C21H25FN2O2

M.W.:
356.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4228732

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(2-(2-methyl-1H-imidazol-1-yl)benzyl)cyclShow More⌵

Mol. Formula:
C23H24FN3O

M.W.:
377.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4228666

Name:
N-((4-(dimethylamino)-1,3,5-triazin-2-yl)methyl)-3-(4-fluorophenyl)-2,2-dimShow More⌵

Mol. Formula:
C18H22FN5O

M.W.:
343.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
71.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4228612

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(1-oxa-8-azaspiro[4.5]decan-8-yl)cycloproShow More⌵

Mol. Formula:
C20H27FN2O2

M.W.:
346.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4228279

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(3-(4-methyl-1,2,5-oxadiazol-3-yl)propyl)Show More⌵

Mol. Formula:
C18H22FN3O2

M.W.:
331.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
68.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4228206

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(4-(4-methyl-1H-imidazol-5-yl)butyl)cycloShow More⌵

Mol. Formula:
C20H26FN3O

M.W.:
343.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4227678

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(1-(4-methyl-4H-pyrazol-3-yl)ethyl)cyclopShow More⌵

Mol. Formula:
C18H22FN3O

M.W.:
315.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
53.82

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4227612

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-((5-methylpyrazin-2-yl)methyl)cyclopropanShow More⌵

Mol. Formula:
C18H20FN3O

M.W.:
313.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4227409

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(3-morpholinopropyl)cyclopropanecarboxamiShow More⌵

Mol. Formula:
C19H27FN2O2

M.W.:
334.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4226370

Name:
3-(4-fluorophenyl)-N-((5-(furan-2-yl)-1,2,4-oxadiazol-3-yl)methyl)-2,2-dimeShow More⌵

Mol. Formula:
C19H18FN3O3

M.W.:
355.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
81.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4226085

Name:
(3-(4-fluorophenyl)-2,2-dimethylcyclopropyl)(4-((3-methylpyridin-2-yl)methyShow More⌵

Mol. Formula:
C23H28FN3O

M.W.:
381.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4225628

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-((5-(methylthiomethyl)-1,2,4-oxadiazol-3-Show More⌵

Mol. Formula:
C17H20FN3O2S

M.W.:
349.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
68.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4225604

Name:
3-(4-fluorophenyl)-2,2-dimethyl-N-(4-(pyrazin-2-yl)piperazin-1-yl)cyclopropShow More⌵

Mol. Formula:
C20H24FN5O

M.W.:
369.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
61.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4225374

Name:
(6,7-dihydro-2H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(3-(4-fluorophenyl)-2,2-dimShow More⌵

Mol. Formula:
C18H20FN3O

M.W.:
313.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
48.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4225159

Name:
(3-(4-fluorophenyl)-2,2-dimethylcyclopropyl)(3-(pyridin-3-yl)azetidin-1-yl)Show More⌵

Mol. Formula:
C20H21FN2O

M.W.:
324.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS