Compounds

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
25.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4088179

Name:
4-(5-((5-Methylpyridin-3-yl)methyl)pyridin-2-yl)mo
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Mol. Formula:
C16H19N3O

M.W.:
269.35

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
38.25

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4642430

Name:
4-chloro-N,2-dimethyl-N-(pyridin-3-yl)benzamide

Mol. Formula:
C14H13ClN2O

M.W.:
260.72

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4635931

Name:
4-cyano-N-methyl-N-(pyridin-3-yl)benzamide

Mol. Formula:
C14H11N3O

M.W.:
237.26

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
56.99

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA4635356

Name:
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-yl)benzami
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Mol. Formula:
C13H10ClFN2O

M.W.:
264.69

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4068593

Name:
5-((5-Methylpyridin-3-yl)methyl)-2-(phenylsulfonyl
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Mol. Formula:
C18H16N2O2S

M.W.:
324.41

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
59.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4067404

Name:
2-(2-Fluorophenyl)-5-((5-methylpyridin-3-yl)methyl
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Mol. Formula:
C18H15FN2

M.W.:
278.33

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
25.78

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4066317

Name:
4-((5-Methylpyridin-3-yl)methyl)-3-phenylisothiazo
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Mol. Formula:
C16H14N2S

M.W.:
266.37

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
25.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3794438

Name:
7-Fluoro-2-pyridin-3-ylmethylchromen-4-one

Mol. Formula:
C15H10FNO2

M.W.:
255.25

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
43.10

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA3792680

Name:
7-Methoxy-2-pyridin-3-ylmethylchromen-4-one

Mol. Formula:
C16H13NO3

M.W.:
267.28

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
52.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3792398

Name:
2-Pyridin-3-ylmethylchromen-4-one

Mol. Formula:
C15H11NO2

M.W.:
237.26

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
43.10

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA3794567

Name:
7-Fluoro-3-(pyridin-3-ylmethyl)-4H-chromen-4-one

Mol. Formula:
C15H10FNO2

M.W.:
255.25

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
43.10

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA3793057

Name:
7-Methoxy-3-(pyridin-3-ylmethyl)-4H-chromen-4-one

Mol. Formula:
C16H13NO3

M.W.:
267.28

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
52.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3792868

Name:
3-(Pyridin-3-ylmethyl)-4H-chromen-4-one

Mol. Formula:
C15H11NO2

M.W.:
237.26

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
43.10

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA3793576

Name:
3-(1H-Imidazol-4-ylmethyl)-7-fluoro-4H-chromen-4-o
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Mol. Formula:
C13H9FN2O2

M.W.:
244.22

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
58.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA3793530

Name:
3-(1H-Imidazol-4-ylmethyl)-7-methoxy-4H-chromen-4-
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Mol. Formula:
C14H12N2O3

M.W.:
256.26

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
68.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3792819

Name:
3-(1H-Imidazol-4-ylmethyl)-4H-chromen-4-one

Mol. Formula:
C13H10N2O2

M.W.:
226.24

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
58.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA3793139

Name:
2-(1H-Imidazol-1-yl)methyl-7-fluoro-4H-chromen-4-o
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Mol. Formula:
C13H9FN2O2

M.W.:
244.22

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
48.03

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3794457

Name:
2-(1H-Imidazol-1-yl)methyl-7-methoxy-4H-chromen-4-
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Mol. Formula:
C14H12N2O3

M.W.:
256.26

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
57.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3793941

Name:
2-(1H-Imidazol-1-yl)methyl-4H-chromen-4-one

Mol. Formula:
C13H10N2O2

M.W.:
226.24