Compounds

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4647233

Name:
3,5-difluoro-N-[5-[2-(3-fluorophenyl)-3-methyl-but
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Mol. Formula:
C19H18F3N3O2S2

M.W.:
441.50

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
71.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4647177

Name:
N-[5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-yl]benz
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Mol. Formula:
C14H17N3O3S

M.W.:
307.38

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.60

Polar Surface Area:
85.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4644941

Name:
3,5-difluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thia
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Mol. Formula:
C17H13F2N3O2S2

M.W.:
393.44

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
71.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4643492

Name:
8-cyclopropyl-N-(3,5-dimethylphenyl)-9-oxo-2,8-dia
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Mol. Formula:
C21H29N3O2

M.W.:
355.48

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
52.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4638243

Name:
N-(3-chloro-4-fluorophenyl)-8-(cyclopropylmethyl)-
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Mol. Formula:
C20H25ClFN3O2

M.W.:
393.89

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
52.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4636981

Name:
rac-N-(3-chloro-4-methylphenyl)-8-isopentyl-9-oxo-
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Mol. Formula:
C22H32ClN3O2

M.W.:
405.97

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
52.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4635357

Name:
rac-N-(3-ethylphenyl)-8-isopentyl-9-oxo-2,8-diazas
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Mol. Formula:
C23H35N3O2

M.W.:
385.55

6 activity values

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
52.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4633911

Name:
8-cyclopropyl-N-(4-methoxyphenyl)-9-oxo-2,8-diazas
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Mol. Formula:
C20H27N3O3

M.W.:
357.45

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4633288

Name:
4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benz
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Mol. Formula:
C11H12ClF3N2O2S

M.W.:
328.74

1 activity values

Type:
Unknown

AlogP:
2.00

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3660170

Name:
US8933095, 7

Mol. Formula:
C13H11F3N4O2

M.W.:
312.25

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3660169

Name:
US8933095, 29

Mol. Formula:
C13H11F3N4O2

M.W.:
312.25

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3660168

Name:
US8933095, 28

Mol. Formula:
C13H11F3N4O2

M.W.:
312.25

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3660167

Name:
US8933095, 27

Mol. Formula:
C15H15F3N4O2

M.W.:
340.30

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3660166

Name:
US8933095, 26

Mol. Formula:
C15H15F3N4O2

M.W.:
340.30

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3660165

Name:
US8933095, 25

Mol. Formula:
C15H15F3N4O2

M.W.:
340.30

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3660164

Name:
US8933095, 24

Mol. Formula:
C16H20N4O2

M.W.:
300.36

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3660163

Name:
US8933095, 23

Mol. Formula:
C15H18N4O2

M.W.:
286.33

Type:
Small molecule

AlogP:
1.10

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3660162

Name:
US8933095, 21

Mol. Formula:
C15H18N4O3

M.W.:
302.33

Type:
Small molecule

AlogP:
0.63

Polar Surface Area:
93.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3660161

Name:
US8933095, 20

Mol. Formula:
C9H14N4O2

M.W.:
210.24