Compounds

ALA1091216

Name:
(2S)-N-((1S)-2-((2S)-2-(5-cyano-4-(naphthalen-1-yl
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Mol. Formula:
C29H33N5O3S

M.W.:
531.68

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
107.35

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1091215

Name:
(2S)-N-((1S)-2-((2S)-2-(5-chloro-4-(naphthalen-1-y
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Mol. Formula:
C29H35ClN4O2S

M.W.:
539.15

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1090867

Name:
(2S)-N-((1S)-2-((2S)-2-(5-fluoro-4-(naphthalen-1-y
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Mol. Formula:
C28H33FN4O3S

M.W.:
524.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
83.56

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1090866

Name:
(S)-N-((S)-1-((S)-2-(4-(benzo[b]thiophen-3-yl)thia
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Mol. Formula:
C25H32N4O2S2

M.W.:
484.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
74.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1094001

Name:
(S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thia
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Mol. Formula:
C26H33N5O3S

M.W.:
495.65

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
100.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1093692

Name:
(S)-N-((S)-2-((S)-2-(4-(benzofuran-3-yl)thiazol-2-
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Mol. Formula:
C27H34N4O3S

M.W.:
494.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
87.47

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1093691

Name:
(S)-N-((S)-3,3-dimethyl-1-oxo-1-((S)-2-(4-(quinoli
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Mol. Formula:
C26H33N5O2S

M.W.:
479.65

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
87.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1089398

Name:
(S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(quinoli
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Mol. Formula:
C28H35N5O2S

M.W.:
505.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
87.22

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1089024

Name:
(S)-N-((S)-2-((S)-2-(4-(4-fluoronaphthalen-1-yl)th
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Mol. Formula:
C28H33FN4O3S

M.W.:
524.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
83.56

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1089023

Name:
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoronapht
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Mol. Formula:
C29H35FN4O2S

M.W.:
522.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1091045

Name:
(S)-2-(methylamino)-N-((S)-2-((S)-2-(4-(naphthalen
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Mol. Formula:
C28H34N4O3S

M.W.:
506.67

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
83.56

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1091044

Name:
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(naphthalen-1-
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Mol. Formula:
C29H36N4O2S

M.W.:
504.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1091762

Name:
(S)-N-((S)-3,3-dimethyl-1-((S)-2-(4-(naphthalen-1-
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Mol. Formula:
C27H34N4O2S

M.W.:
478.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1089012

Name:
(S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylth
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Mol. Formula:
C25H34N4O2S

M.W.:
454.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1091453

Name:
(S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylth
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Mol. Formula:
C28H35N5O2S

M.W.:
505.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
87.22

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1093356

Name:
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(5-methyl-7-pheny
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Mol. Formula:
C28H36N6O2S

M.W.:
520.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
100.11

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1091442

Name:
(S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth
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Mol. Formula:
C27H34N6O2S

M.W.:
506.68

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
100.11

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1092761

Name:
(S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth
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Mol. Formula:
C28H35N5O2S

M.W.:
505.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
87.22

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1092760

Name:
(S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth
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Mol. Formula:
C28H35N5O2S

M.W.:
505.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
87.22

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1092759

Name:
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoropheny
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Mol. Formula:
C29H35FN4O2S

M.W.:
522.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS