Compounds

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
92.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4474508

Name:
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-(3-methylph
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Mol. Formula:
C20H22N6O

M.W.:
362.44

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
112.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4524587

Name:
rac-7-[(2-Aminocyclohexyl)amino]-8-chloro-5-(3-met
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Mol. Formula:
C20H23ClN6O

M.W.:
398.90

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
108.72

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4531557

Name:
6-{[(1S,2S)-2-Aminocyclohexyl]amino}-5-cyano-2-(3-
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Mol. Formula:
C20H24N6O

M.W.:
364.45

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
129.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4557212

Name:
7-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-(3-methylan
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Mol. Formula:
C20H24N6O

M.W.:
364.45

2 activity values

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
108.72

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4553573

Name:
rac-6-{[2-Aminocyclohexyl]amino}-2-(3-methylanilin
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Mol. Formula:
C19H25N5O

M.W.:
339.44

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
106.06

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4552333

Name:
6-{[(1R,2S)-2-Acetamidocyclohexyl]amino}-5-cyano-2
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Mol. Formula:
C22H26N6O2

M.W.:
406.49

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
132.93

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4517783

Name:
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-2-(3-methylan
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Mol. Formula:
C25H29N5O

M.W.:
415.54

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
106.06

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4548125

Name:
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-cyano-N,N-d
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Mol. Formula:
C22H28N6O

M.W.:
392.51

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
107.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4548027

Name:
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-chloro-2-(3
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Mol. Formula:
C19H24ClN5O

M.W.:
373.89

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
106.06

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4575605

Name:
2-Amino-6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cya
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Mol. Formula:
C13H18N6O

M.W.:
274.33

Type:
Unknown

AlogP:
0.32

Polar Surface Area:
143.84

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4461851

Name:
7-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-(3-methylan
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Mol. Formula:
C21H23N7O

M.W.:
389.46

31 activity values

20 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
132.51

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4460824

Name:
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-cyano-2-[(3
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Mol. Formula:
C21H25N5O

M.W.:
363.47

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
117.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4470327

Name:
6-{[(1R,2R)-2-Aminocyclohexyl]amino}-5-cyano-2-(3-
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Mol. Formula:
C20H24N6O

M.W.:
364.45

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
129.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4564799

Name:
rac-6-[(2-Aminocyclohexyl)amino]-8-(3-methylanilin
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Mol. Formula:
C21H25N5O

M.W.:
363.47

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
95.83

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4457164

Name:
6-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-cyano-2-(3-
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Mol. Formula:
C20H24N6O

M.W.:
364.45

10 activity values

4 unique targets

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
129.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4456804

Name:
7-{[(1R,2S)-2-Aminocyclohexyl]amino}-8-bromo-5-(3-
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Mol. Formula:
C20H23BrN6O

M.W.:
443.35

2 activity values

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
108.72

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4456510

Name:
5-Cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyr
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Mol. Formula:
C20H23N5O

M.W.:
349.44

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
103.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4455291

Name:
2-{[(1R,2S)-2-Aminocyclohexyl]amino}-6-(3-methylan
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Mol. Formula:
C19H23N5

M.W.:
321.43

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
86.76

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4455220

Name:
rac-7-[(2-Aminocyclohexyl)amino]-5-(3-methylanilin
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Mol. Formula:
C20H24N6O

M.W.:
364.45