Compounds

ALA3351079

Name:
(S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-3-methyl
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Mol. Formula:
C27H34N2O4S

M.W.:
482.65

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2369423

Name:
2-[1-(Hydroxycarbamoylmethyl-carbamoyl)-2-methyl-p
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Mol. Formula:
C20H28N4O6

M.W.:
420.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
137.07

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2297566

Name:
3-(biphenyl-4-yl)-2-(1-(2-mercapto-2-methylpropana
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Mol. Formula:
C25H30N2O4S

M.W.:
454.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2297565

Name:
3-(biphenyl-4-yl)-2-(1-((R)-2-mercapto-3-phenylpro
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Mol. Formula:
C30H32N2O4S

M.W.:
516.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2297564

Name:
3-(biphenyl-4-yl)-2-(1-((R)-2-mercapto-4-(methylth
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Mol. Formula:
C26H32N2O4S2

M.W.:
500.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
95.50

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2297563

Name:
3-(biphenyl-4-yl)-2-(1-((2R,3S)-2-mercapto-3-metho
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Mol. Formula:
C26H32N2O5S

M.W.:
484.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
104.73

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2297562

Name:
3-(biphenyl-4-yl)-2-(1-((R)-2-mercapto-3-methoxypr
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Mol. Formula:
C25H30N2O5S

M.W.:
470.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
104.73

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2297561

Name:
3-(biphenyl-4-yl)-2-(1-((R)-3-hydroxy-2-mercaptopr
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Mol. Formula:
C24H28N2O5S

M.W.:
456.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
115.73

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2297560

Name:
3-(biphenyl-4-yl)-2-(1-((2S,3R)-2-mercapto-3-methy
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Mol. Formula:
C27H34N2O4S

M.W.:
482.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2297559

Name:
3-(biphenyl-4-yl)-2-(1-((2R,3S)-2-mercapto-3-methy
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Mol. Formula:
C27H34N2O4S

M.W.:
482.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2297558

Name:
3-(biphenyl-4-yl)-2-(1-((2R,3R)-2-mercapto-3-methy
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Mol. Formula:
C27H34N2O4S

M.W.:
482.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2297557

Name:
3-(biphenyl-4-yl)-2-(1-((S)-2-mercapto-4-methylpen
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Mol. Formula:
C27H34N2O4S

M.W.:
482.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2297556

Name:
3-(biphenyl-4-yl)-2-(1-((R)-2-mercapto-4-methylpen
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Mol. Formula:
C27H34N2O4S

M.W.:
482.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2297555

Name:
3-(biphenyl-4-yl)-2-(1-((S)-2-mercaptohexanamido)c
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Mol. Formula:
C27H34N2O4S

M.W.:
482.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2297554

Name:
3-(biphenyl-4-yl)-2-(1-((R)-2-mercaptohexanamido)c
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Mol. Formula:
C27H34N2O4S

M.W.:
482.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2297553

Name:
3-(biphenyl-4-yl)-2-(1-((S)-2-mercaptopentanamido)
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Mol. Formula:
C26H32N2O4S

M.W.:
468.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2297552

Name:
3-(biphenyl-4-yl)-2-(1-((R)-2-mercaptopentanamido)
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Mol. Formula:
C26H32N2O4S

M.W.:
468.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2297551

Name:
3-(3'-chloro-4'-fluorobiphenyl-4-yl)-2-(1-((S)-2-m
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Mol. Formula:
C26H30ClFN2O4S

M.W.:
521.05

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2297550

Name:
2-(1-((S)-2-mercapto-3-methylbutanamido)cyclopenta
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Mol. Formula:
C27H31F3N2O4S

M.W.:
536.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
95.50

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2297549

Name:
2-(1-((S)-2-mercapto-3-methylbutanamido)cyclopenta
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Mol. Formula:
C27H34N2O5S

M.W.:
498.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
104.73

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS