Compounds

ALA4476070

Name:
(R)-2-((2,4-Difluorophenyl)Thio)-4-Oxo-N-((R)-1-Ph
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Mol. Formula:
C18H16F2N2O2S

M.W.:
362.40

9 activity values

2 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4474977

Name:
(R)-2-((Pentafluorophenyl)Thio)-4-Oxo-N-((S)-1-Phe
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Mol. Formula:
C18H13F5N2O2S

M.W.:
416.37

7 activity values

2 unique targets

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4474252

Name:
(R)-2-((2-Methoxyphenyl)Thio)-4-Oxo-N-((S)-1-Pheny
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Mol. Formula:
C19H20N2O3S

M.W.:
356.45

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4536342

Name:
(S)-2-((2-Methoxyphenyl)Thio)-4-Oxo-N-((R)-1-Pheny
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Mol. Formula:
C19H20N2O3S

M.W.:
356.45

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4521922

Name:
(R)-2-((2-Chloro-4-fluorophenyl)Thio)-4-Oxo-N-((R)
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Mol. Formula:
C18H16ClFN2O2S

M.W.:
378.86

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4520608

Name:
(S)-2-((3-Chloro-4-fluorophenyl)Thio)-4-Oxo-N-((R)
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Mol. Formula:
C18H16ClFN2O2S

M.W.:
378.86

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4561359

Name:
(S)-2-((4-Methoxyphenyl)Thio)-4-Oxo-N-((R)-1-Pheny
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Mol. Formula:
C19H20N2O3S

M.W.:
356.45

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4557102

Name:
(R)-2-((3,4-Difluorophenyl)Thio)-4-Oxo-N-((R)-1-Ph
Show More⌵

Mol. Formula:
C18H16F2N2O2S

M.W.:
362.40

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4553122

Name:
(R)-2-((4-Fluorophenyl)Thio)-4-Oxo-N-((R)-1-Phenyl
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Mol. Formula:
C18H17FN2O2S

M.W.:
344.41

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4568751

Name:
(R)-2-((2-Fluorophenyl)Thio)-4-Oxo-N-((S)-1-Phenyl
Show More⌵

Mol. Formula:
C18H17FN2O2S

M.W.:
344.41

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4528455

Name:
(R)-2-((4-Methoxyphenyl)Thio)-4-Oxo-N-((S)-1-Pheny
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Mol. Formula:
C19H20N2O3S

M.W.:
356.45

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4527552

Name:
(R)-2-((4-Methoxyphenyl)Thio)-4-Oxo-N-((R)-1-Pheny
Show More⌵

Mol. Formula:
C19H20N2O3S

M.W.:
356.45

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4517710

Name:
(R)-2-(Phenylselanyl)-4-Oxo-N-((S)-1-Phenylethyl)A
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Mol. Formula:
C18H18N2O2Se

M.W.:
373.31

4 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4515421

Name:
(S)-2-((3,4-Difluorophenyl)Thio)-4-Oxo-N-((R)-1-Ph
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Mol. Formula:
C18H16F2N2O2S

M.W.:
362.40

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4548023

Name:
(R)-2-((2-Chloro-4-fluorophenyl)Thio)-4-Oxo-N-((S)
Show More⌵

Mol. Formula:
C18H16ClFN2O2S

M.W.:
378.86

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4743786

Name:
Stechlisin C3

Mol. Formula:
C66H114N12O20

M.W.:
1395.70

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4572274

Name:
(R)-2-((4-Trifluoromethyphenyl)Thio)-4-Oxo-N-((R)-
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Mol. Formula:
C19H17F3N2O2S

M.W.:
394.42

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4758408

Name:
Stechlisin E2

Mol. Formula:
C68H118N12O20

M.W.:
1423.76

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4577655

Name:
(S)-2-((2-Fluorophenyl)Thio)-4-Oxo-N-((S)-1-Phenyl
Show More⌵

Mol. Formula:
C18H17FN2O2S

M.W.:
344.41

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4778670

Name:
Stechlisin F

Mol. Formula:
C69H120N12O20

M.W.:
1437.78

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS