Compounds

ALA4591304

Name:
1-methyl-N-(3-(methylthio)phenyl)-3-(phenoxymethyl)-6,7-dihydro-1H-pyrazoloShow More⌵

Mol. Formula:
C22H24N4O2S

M.W.:
408.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
59.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4587266

Name:
N-(4-chlorophenyl)-3-((4-fluorophenoxy)methyl)-1-methyl-6,7-dihydro-1H-pyraShow More⌵

Mol. Formula:
C21H20ClFN4O2

M.W.:
414.87

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4585421

Name:
N-(3-chloro-4-methylphenyl)-3-((4-fluorophenoxy)methyl)-1-methyl-6,7-dihydrShow More⌵

Mol. Formula:
C22H22ClFN4O2

M.W.:
428.90

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4577312

Name:
3-((2-chloro-4-fluorobenzyloxy)methyl)-N-(4-ethylphenyl)-1-methyl-6,7-dihydShow More⌵

Mol. Formula:
C24H26ClFN4O2

M.W.:
456.95

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4559255

Name:
N-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]Show More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4545845

Name:
N-(3-fluoro-4-methoxyphenyl)-3-((4-fluorophenoxy)methyl)-1-methyl-6,7-dihydShow More⌵

Mol. Formula:
C22H22F2N4O3

M.W.:
428.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
68.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4536237

Name:
N-(3,4-dimethylphenyl)-3-((4-fluorophenoxy)methyl)-1-methyl-6,7-dihydro-1H-Show More⌵

Mol. Formula:
C23H25FN4O2

M.W.:
408.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4515533

Name:
5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1Show More⌵

Mol. Formula:
C20H23N3O2S2

M.W.:
401.56

44 activity values

6 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
74.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4515128

Name:
N-(3-chloro-4-fluorophenyl)-3-((4-fluorophenoxy)methyl)-1-methyl-6,7-dihydrShow More⌵

Mol. Formula:
C21H19ClF2N4O2

M.W.:
432.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4514883

Name:
N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-1H-pyraShow More⌵

Mol. Formula:
C22H23FN4O3

M.W.:
410.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
68.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4473450

Name:
2-methyl-5-(3-methyl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)Show More⌵

Mol. Formula:
C19H21N3O2S2

M.W.:
387.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
74.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4465248

Name:
3-((4-chlorobenzyloxy)methyl)-N-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-1Show More⌵

Mol. Formula:
C24H27ClN4O2

M.W.:
438.96

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4463883

Name:
N-(3-chlorophenyl)-3-((4-fluorophenoxy)methyl)-1-methyl-6,7-dihydro-1H-pyraShow More⌵

Mol. Formula:
C21H20ClFN4O2

M.W.:
414.87

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4462658

Name:
3-((4-fluorophenoxy)methyl)-1-methyl-N-(3-(trifluoromethyl)phenyl)-6,7-dihyShow More⌵

Mol. Formula:
C22H20F4N4O2

M.W.:
448.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4461239

Name:
1-methyl-3-(phenoxymethyl)-N-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridineShow More⌵

Mol. Formula:
C22H24N4O2

M.W.:
376.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4461017

Name:
N-(4-chlorophenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-1H-pyrazolo[4,3-cShow More⌵

Mol. Formula:
C21H21ClN4O2

M.W.:
396.88

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4459173

Name:
N-(3-chloro-4-methylphenyl)-3-((3-fluorobenzyloxy)methyl)-1-methyl-6,7-dihyShow More⌵

Mol. Formula:
C23H24ClFN4O2

M.W.:
442.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4451387

Name:
3-((2-chloro-4-fluorobenzyloxy)methyl)-N-(3,4-dimethylphenyl)-1-methyl-6,7-Show More⌵

Mol. Formula:
C24H26ClFN4O2

M.W.:
456.95

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4446395

Name:
N-(3,4-dimethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-1H-pyrazolo[4Show More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4437637

Name:
1-methyl-N-(4-(methylthio)phenyl)-3-(phenoxymethyl)-6,7-dihydro-1H-pyrazoloShow More⌵

Mol. Formula:
C22H24N4O2S

M.W.:
408.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
59.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS