Compounds

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

ALA4782173

Name:
2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine

Mol. Formula:
C12H12N4

M.W.:
212.26

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

ALA4780342

Name:
5-[5-(Biphenyl-4-ylmethyl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole

Mol. Formula:
C21H19N3S

M.W.:
345.47

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

ALA4764231

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

Mol. Formula:
C9H12N4

M.W.:
176.22

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

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

ALA4752881

Name:
(S)-2,4-Dimethyl-5-[5-(1-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole

Mol. Formula:
C16H17N3S

M.W.:
283.40

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

ALA4751557

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

Mol. Formula:
C14H13N3S

M.W.:
255.35

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4748539

Name:
2,4-Dimethyl-5-(5-phenyl-1H-pyrazol-3-yl)thiazole

Mol. Formula:
C14H13N3S

M.W.:
255.35

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

ALA4746635

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

Mol. Formula:
C9H11N3S

M.W.:
193.27

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA4744953

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

Mol. Formula:
C10H11N3S

M.W.:
205.29

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

ALA4639358

Name:
1-(3,4-dihydroxy-5-nitro-phenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

Mol. Formula:
C16H13NO6

M.W.:
315.28

2 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
109.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4632987

Name:
3-(3-bromophenyl)-1-(3,4-dihydroxy-5-nitro-phenyl)prop-2-en-1-one

Mol. Formula:
C15H10BrNO5

M.W.:
364.15

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
100.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4587566

Name:
2-[(2-cyanophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-oShow More⌵

Mol. Formula:
C16H15N3O2

M.W.:
281.31

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-dihydro-1H-pyrido[1,2-a]pyraziShow More⌵

Mol. Formula:
C17H20N2O2

M.W.:
284.36

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

ALA4577912

Name:
2-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyraziShow More⌵

Mol. Formula:
C17H20N2O2

M.W.:
284.36

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

ALA4571097

Name:
2-benzenesulfonyl-7-hydroxy-1,2,3,4-tetrahydro-8H-pyrido[1,2-a]pyrazin-8-onShow More⌵

Mol. Formula:
C14H14N2O4S

M.W.:
306.34

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-pyrido[1,2-a]pyrazin-8-oShow More⌵

Mol. Formula:
C16H15N3O2

M.W.:
281.31

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

ALA4556206

Name:
7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-aShow More⌵

Mol. Formula:
C16H15F3N2O2

M.W.:
324.30

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-pyrido[1,2-a]pyrazin-8-one

Mol. Formula:
C14H22N2O2

M.W.:
250.34