Compounds

ALA4476127

Name:
7-hydroxy-2-(2-methylbenzyl)-1,2,3,4-tetrahydro-8H
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Mol. Formula:
C16H18N2O2

M.W.:
270.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4538981

Name:
7-hydroxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-
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Mol. Formula:
C16H18N2O3

M.W.:
286.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4523002

Name:
2-[(2-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1
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Mol. Formula:
C15H15FN2O2

M.W.:
274.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4531460

Name:
2-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3,4-
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Mol. Formula:
C15H14ClFN2O2

M.W.:
308.74

21 activity values

5 unique targets

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4556206

Name:
7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,
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Mol. Formula:
C16H15F3N2O2

M.W.:
324.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4551380

Name:
2-(2-ethylbutyl)-7-hydroxy-1,2,3,4-tetrahydro-8H-p
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Mol. Formula:
C14H22N2O2

M.W.:
250.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4571097

Name:
2-benzenesulfonyl-7-hydroxy-1,2,3,4-tetrahydro-8H-
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Mol. Formula:
C14H14N2O4S

M.W.:
306.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.76

Polar Surface Area:
79.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4566961

Name:
2-[(4-cyanophenyl)methyl]-7-hydroxy-3,4-dihydro-1H
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Mol. Formula:
C16H15N3O2

M.W.:
281.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
69.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4526054

Name:
2-(4-fluorobenzoyl)-7-hydroxy-1,2,3,4-tetrahydro-8
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Mol. Formula:
C15H13FN2O3

M.W.:
288.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
62.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4518323

Name:
7-hydroxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-
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Mol. Formula:
C16H18N2O3

M.W.:
286.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4516338

Name:
7-hydroxy-2-(3-pyridylmethyl)-3,4-dihydro-1H-pyrid
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Mol. Formula:
C14H15N3O2

M.W.:
257.29

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.96

Polar Surface Area:
58.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4744953

Name:
4-Cyclopropyl-2-methyl-5-(1H-pyrazol-3-yl)thiazole

Mol. Formula:
C10H11N3S

M.W.:
205.29

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA4764231

Name:
1'-ethyl-3'-methyl-1H,1'H-3,4'-bipyrazole

Cas Number:
1006464-91-0

Mol. Formula:
C9H12N4

M.W.:
176.22

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.60

Polar Surface Area:
46.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA4756395

Name:
4-methyl-5-(1H-pyrazol-3-yl)-2-p-tolylthiazole

Cas Number:
1397224-18-8

Mol. Formula:
C14H13N3S

M.W.:
255.35

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4577912

Name:
2-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3,4-dihyd
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Mol. Formula:
C17H20N2O2

M.W.:
284.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4780342

Name:
5-[5-(Biphenyl-4-ylmethyl)-1H-pyrazol-3-yl]-2,4-di
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Mol. Formula:
C21H19N3S

M.W.:
345.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4587566

Name:
2-[(2-cyanophenyl)methyl]-7-hydroxy-3,4-dihydro-1H
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Mol. Formula:
C16H15N3O2

M.W.:
281.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
69.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4583818

Name:
2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihyd
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Mol. Formula:
C17H20N2O2

M.W.:
284.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4782173

Name:
2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyri
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Cas Number:
372198-37-3

Mol. Formula:
C12H12N4

M.W.:
212.26

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
45.98

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA4752881

Name:
(S)-2,4-Dimethyl-5-[5-(1-phenylethyl)-1H-pyrazol-3
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Mol. Formula:
C16H17N3S

M.W.:
283.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS