Compounds

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
67.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA188965

Name:
4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-benzene-Show More⌵

Mol. Formula:
C18H16N2O4

M.W.:
324.34

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
87.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA187674

Name:
4-(4-Benzo[1,3]dioxol-5-yl-1H-pyrazol-3-yl)-6-sec-butyl-benzene-1,3-diol

Mol. Formula:
C20H20N2O4

M.W.:
352.39

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
87.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA190919

Name:
4-sec-Butyl-6-[4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-Show More⌵

Mol. Formula:
C22H24N2O4

M.W.:
380.44

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
87.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA188769

Name:
4-sec-Butyl-5-methoxy-2-(4-phenyl-1H-pyrazol-3-yl)-phenol

Mol. Formula:
C20H22N2O2

M.W.:
322.41

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
58.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA362576

Name:
4-Chloro-6-[4-(3,4-dimethoxy-phenyl)-1-methyl-1H-pyrazol-3-yl]-benzene-1,3-Show More⌵

Mol. Formula:
C18H17ClN2O4

M.W.:
360.80

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
76.74

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA187670

Name:
4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-2-(methyShow More⌵

Mol. Formula:
C18H15ClN2O3

M.W.:
342.78

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
67.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA188495

Name:
4-{3-[3-(5-Chloro-2,4-dihydroxy-phenyl)-1H-pyrazol-4-yl]-phenoxy}-butyronitShow More⌵

Mol. Formula:
C19H16ClN3O3

M.W.:
369.81

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
102.16

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA191228

Name:
4-Chloro-6-[4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-1H-pyrazol-3-yl]-benzene-Show More⌵

Mol. Formula:
C17H13ClN2O4

M.W.:
344.75

13 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
87.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA435501

Name:
4-sec-Butyl-2-[4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-1H-pyrazol-3-yl]-5-metShow More⌵

Mol. Formula:
C22H24N2O4

M.W.:
380.44

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
76.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA189588

Name:
2-(4-Benzo[1,3]dioxol-5-yl-1H-pyrazol-3-yl)-4-isopropyl-5-methoxy-phenol

Mol. Formula:
C20H20N2O4

M.W.:
352.39

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
76.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA191074

Name:
4-Chloro-6-[4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]Show More⌵

Mol. Formula:
C18H15ClN2O4

M.W.:
358.78

18 activity values

12 unique targets

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
87.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA187408

Name:
4-{4-[3-(5-Chloro-2,4-dihydroxy-phenyl)-1H-pyrazol-4-yl]-phenoxy}-butyronitShow More⌵

Mol. Formula:
C19H16ClN3O3

M.W.:
369.81

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
102.16

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA187986

Name:
4-(4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-6-isopropyl-benzene-1,3-diol

Mol. Formula:
C19H17N3O2S

M.W.:
351.43

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
82.03

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA190249

Name:
4-Chloro-6-[4-(3,4-dimethoxy-phenyl)-1H-pyrazol-3-yl]-benzene-1,3-diol

Mol. Formula:
C17H15ClN2O4

M.W.:
346.77

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
87.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA187678

Name:
2-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-4-(methyShow More⌵

Mol. Formula:
C18H15ClN2O3

M.W.:
342.78

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
67.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA188773

Name:
4-{4-[3-(5-Chloro-2,4-dihydroxy-phenyl)-5-methyl-1H-pyrazol-4-yl]-phenoxy}-Show More⌵

Mol. Formula:
C20H18ClN3O3

M.W.:
383.84