Compounds

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4250148

Name:
(S)-3-(3-(1,4-Dimethyl-1H-pyrazol-5-yl)phenyl)-4-(
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Mol. Formula:
C29H37N5O2

M.W.:
487.65

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4248953

Name:
(R)-3-(3-Morpholinophenyl)-4-((R)-3-(2-(5,6,7,8-te
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Mol. Formula:
C28H38N4O3

M.W.:
478.64

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
77.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4247617

Name:
(S)-3-(3-(4-Methyl-1H-pyrazol-1-yl)phenyl)-4-((R)-
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Mol. Formula:
C28H35N5O2

M.W.:
473.62

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4247149

Name:
(S)-3-(3-(3-Methyl-1H-pyrazol-1-yl)phenyl)-4-((R)-
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Mol. Formula:
C28H35N5O2

M.W.:
473.62

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4246111

Name:
(S)-3-(3-(4H-1,2,4-Triazol-4-yl)phenyl)-4-((R)-3-(
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Mol. Formula:
C26H32N6O2

M.W.:
460.58

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
96.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4243686

Name:
(S)-3-(3-(1H-1,2,4-Triazol-1-yl)phenyl)-4-((R)-3-(
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Mol. Formula:
C26H32N6O2

M.W.:
460.58

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
96.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4243367

Name:
(S)-3-(3-(5-Methyl-1H-pyrazol-1-yl)phenyl)-4-((R)-
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Mol. Formula:
C28H35N5O2

M.W.:
473.62

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4242635

Name:
(S)-3-(3-Cyclopropylphenyl)-4-((R)-3-(2-(5,6,7,8-t
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Mol. Formula:
C27H35N3O2

M.W.:
433.60

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4242175

Name:
(S)-3-(3-Bromophenyl)-4-((R)-3-(2-(5,6,7,8-tetrahy
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Mol. Formula:
C24H30BrN3O2

M.W.:
472.43

16 activity values

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4241824

Name:
(S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-(
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Mol. Formula:
C29H37N5O2

M.W.:
487.65

105 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4241584

Name:
(S)-3-(3-(1H-1,2,3-Triazol-1-yl)phenyl)-4-((R)-3-(
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Mol. Formula:
C26H32N6O2

M.W.:
460.58

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
96.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4240155

Name:
(S)-3-(3-(3-Methyl-1H-pyrazol-5-yl)phenyl)-4-((R)-
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Mol. Formula:
C28H35N5O2

M.W.:
473.62

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
94.14

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4239588

Name:
(R)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-(
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Mol. Formula:
C29H37N5O2

M.W.:
487.65

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4238909

Name:
(S)-3-(3-Morpholinophenyl)-4-((R)-3-(2-(5,6,7,8-te
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Mol. Formula:
C28H38N4O3

M.W.:
478.64

23 activity values

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
77.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4238482

Name:
(R)-3-(3-Cyclopropylphenyl)-4-((R)-3-(2-(5,6,7,8-t
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Mol. Formula:
C27H35N3O2

M.W.:
433.60

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4237919

Name:
(S)-3-(3-(3-Methyl-4H-1,2,4-triazol-4-yl)phenyl)-4
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Mol. Formula:
C27H34N6O2

M.W.:
474.61

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
96.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4237868

Name:
(S)-3-(3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)pheny
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Mol. Formula:
C28H36N6O2

M.W.:
488.64