Compounds

ALA5282078

Name:
4-hydroxy-3-(pyridin-4-yl)-4-(trifluoromethyl)-1,4
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Mol. Formula:
C12H9F3N4O2

M.W.:
298.22

Type:
---

AlogP:
1.56

Polar Surface Area:
90.90

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5279488

Name:
2-(1-(4-fluorobenzyl)piperidin-2-yl)-1H-indole

Mol. Formula:
C20H21FN2

M.W.:
308.40

Type:
---

AlogP:
5.03

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5279468

Name:
3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1
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Mol. Formula:
C13H9F4N3O2

M.W.:
315.23

Type:
---

AlogP:
2.31

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5278054

Name:
N-(1H-benzo[d]imidazol-2-yl)-2-(2-chlorophenyl)cyc
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Mol. Formula:
C17H14ClN3O

M.W.:
311.77

Type:
---

AlogP:
3.96

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5287076

Name:
3-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1
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Mol. Formula:
C13H9F4N3O2

M.W.:
315.23

Type:
---

AlogP:
2.31

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5286438

Name:
4-hydroxy-3-(3-methoxyphenyl)-4-(trifluoromethyl)-
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Mol. Formula:
C14H12F3N3O3

M.W.:
327.26

Type:
---

AlogP:
2.18

Polar Surface Area:
87.24

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5290275

Name:
N-(5-chloro-1H-benzo[d]imidazol-2-yl)-2-phenylcycl
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Mol. Formula:
C17H14ClN3O

M.W.:
311.77

Type:
---

AlogP:
3.96

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5289536

Name:
4-hydroxy-3-(p-tolyl)-4-(trifluoromethyl)-1,4,5,7-
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Mol. Formula:
C14H12F3N3O2

M.W.:
311.26

Type:
---

AlogP:
2.48

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5288868

Name:
2-(1-(3-methylbenzyl)piperidin-2-yl)-1H-indole

Mol. Formula:
C21H24N2

M.W.:
304.44

Type:
---

AlogP:
5.20

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5284478

Name:
4-hydroxy-3-phenyl-4-(trifluoromethyl)-1,4,5,7-tet
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Mol. Formula:
C13H10F3N3O2

M.W.:
297.24

Type:
---

AlogP:
2.17

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5283300

Name:
N-(1H-benzo[d]imidazol-2-yl)-2-(m-tolyl)cyclopropa
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Mol. Formula:
C18H17N3O

M.W.:
291.35

Type:
---

AlogP:
3.61

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5282947

Name:
N-(1H-benzo[d]imidazol-2-yl)-2-phenylcyclopropane-
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Mol. Formula:
C17H15N3O

M.W.:
277.33

Type:
---

AlogP:
3.31

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5275578

Name:
4-hydroxy-4-(trifluoromethyl)-3-(3-(trifluoromethy
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Mol. Formula:
C14H9F6N3O2

M.W.:
365.23

Type:
---

AlogP:
3.19

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5271203

Name:
3-(3-bromophenyl)-4-hydroxy-4-(trifluoromethyl)-1,
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Mol. Formula:
C13H9BrF3N3O2

M.W.:
376.13

Type:
---

AlogP:
2.93

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5271020

Name:
4-hydroxy-3-(4-methoxyphenyl)-4-(trifluoromethyl)-
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Mol. Formula:
C14H12F3N3O3

M.W.:
327.26

Type:
---

AlogP:
2.18

Polar Surface Area:
87.24

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5269328

Name:
5-fluoro-2-(6-methyl-1-(3-methylbenzyl)piperidin-2
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Mol. Formula:
C22H25FN2

M.W.:
336.45

Type:
---

AlogP:
5.73

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5268895

Name:
4-hydroxy-3-(thiophen-2-yl)-4-(trifluoromethyl)-1,
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Mol. Formula:
C11H8F3N3O2S

M.W.:
303.26

Type:
---

AlogP:
2.23

Polar Surface Area:
78.01

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5267371

Name:
3-(3-chlorophenyl)-4-hydroxy-4-(trifluoromethyl)-1
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Mol. Formula:
C13H9ClF3N3O2

M.W.:
331.68

Type:
---

AlogP:
2.82

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5266099

Name:
2-phenyl-N-(5-(trifluoromethyl)-1H-benzo[d]imidazo
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Mol. Formula:
C18H14F3N3O

M.W.:
345.32

Type:
---

AlogP:
4.32

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3322514

Name:
5-Chloro-2-(N-(4-(1,3-dioxo-1H-benzo[de]isoquinoli
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Cas Number:
1622006-09-0

Mol. Formula:
C23H19ClN2O6S

M.W.:
486.93

16 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
120.85

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS