Compounds

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
98.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4539619

Name:
6-(4-fluoro-3-methylphenyl)-1-(pyridin-2-ylmethyl)
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Mol. Formula:
C20H16FN3

M.W.:
317.37

8 activity values

7 unique targets

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4537967

Name:
1-(cyclobutylmethyl)-6-(4-fluoro-3-methylphenyl)-1
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Mol. Formula:
C19H19FN2

M.W.:
294.37

8 activity values

7 unique targets

Type:
Unknown

AlogP:
4.95

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4534333

Name:
2-(4-(3-fluoro-4-(trifluoromethyl)phenyl)piperazin
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Mol. Formula:
C20H16F4N4O4

M.W.:
452.36

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
98.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4531810

Name:
2-(4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl)-2-o
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Mol. Formula:
C20H19FN4O5

M.W.:
414.39

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
107.88

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4531750

Name:
N,N-dimethyl-2-(6-(5-(trifluoromethyl)thiophen-2-y
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Mol. Formula:
C16H14F3N3OS

M.W.:
353.37

27 activity values

11 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4559320

Name:
2-(4-(4-chlorophenyl)piperazin-1-yl)-2-oxo-N-(2-ox
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Mol. Formula:
C21H21ClN4O3

M.W.:
412.88

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4558398

Name:
(S)-2-(4-(4-chlorophenyl)-2-methylpiperazin-1-yl)-
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Mol. Formula:
C20H19ClN4O4

M.W.:
414.85

Type:
Unknown

AlogP:
2.45

Polar Surface Area:
98.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4571666

Name:
N,N-dimethyl-2-(6-(3-(trifluoromethyl)phenyl)-1H-p
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Mol. Formula:
C18H16F3N3O

M.W.:
347.34

21 activity values

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4529810

Name:
N,N-dimethyl-2-(6-(4-methylthiophen-2-yl)-1H-pyrro
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Mol. Formula:
C16H17N3OS

M.W.:
299.40

12 activity values

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4526884

Name:
2-(4-(4-chloro-3-fluorophenyl)piperazin-1-yl)-2-ox
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Mol. Formula:
C19H16ClFN4O4

M.W.:
418.81

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
98.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4526512

Name:
2-((6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]p
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Mol. Formula:
C18H14FN3O

M.W.:
307.33

9 activity values

7 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
43.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4515350

Name:
1-(azetidin-1-yl)-2-(6-(3-(trifluoromethyl)phenyl)
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Mol. Formula:
C19H16F3N3O

M.W.:
359.35

7 activity values

5 unique targets

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4547576

Name:
2-(6-(3-(difluoromethyl)-4-fluorophenyl)-1H-pyrrol
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Mol. Formula:
C18H16F3N3O

M.W.:
347.34

12 activity values

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4575739

Name:
N,N-dimethyl-2-(6-(5-methylthiophen-2-yl)-1H-pyrro
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Mol. Formula:
C16H17N3OS

M.W.:
299.40

11 activity values

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4590530

Name:
2-((6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]p
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Mol. Formula:
C18H15FN4O

M.W.:
322.34

11 activity values

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
56.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4588774

Name:
2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]py
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Mol. Formula:
C21H22FN3O

M.W.:
351.43

4 activity values

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4583880

Name:
(R)-2-(4-(4-chloro-3-fluorophenyl)-2-methylpiperaz
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Mol. Formula:
C20H18ClFN4O4

M.W.:
432.84

7 activity values

5 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
98.65

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4583561

Name:
5-(3-(4-(4-chlorophenyl)piperazine-1-carbonyl)isox
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Mol. Formula:
C19H17ClN4O3

M.W.:
384.82