Compounds

ALA4590402

Name:
2-(4-methyl-1H-imidazol-1-yl)aniline

Mol. Formula:
C10H11N3

M.W.:
173.22

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
43.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA4588776

Name:
1-(3-nitrophenyl)-1H-imidazole

Mol. Formula:
C9H7N3O2

M.W.:
189.17

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
60.96

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4588705

Name:
4-(4-(acetoxymethyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C12H11N3O4

M.W.:
261.24

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.03

Polar Surface Area:
94.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4581000

Name:
2-(4-bromo-1H-imidazol-1-yl)aniline

Mol. Formula:
C9H8BrN3

M.W.:
238.09

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.22

Polar Surface Area:
43.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA4573866

Name:
4-(4-(4-aminophenyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C15H12N4O2

M.W.:
280.29

6 activity values

2 unique targets

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
94.03

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4573395

Name:
methyl 4-(4-(methoxymethyl)-1H-1,2,3-triazol-1-yl)benzoate

Mol. Formula:
C12H13N3O3

M.W.:
247.25

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4569451

Name:
4-(1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)benzoic acid

Mol. Formula:
C14H10N4O2

M.W.:
266.26

17 activity values

2 unique targets

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
80.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

4-(1H-1,2,3-Triazol-1-yl)benzoic acid

Name:
4-(1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C9H7N3O2

M.W.:
189.17

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.97

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4559370

Name:
4-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C10H9N3O3

M.W.:
219.20

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.46

Polar Surface Area:
88.24

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4558502

Name:
4-(4-(3-(Phenethylamino)phenyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C23H20N4O2

M.W.:
384.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4553300

Name:
3-(1-phenyl-1H-1,2,3-triazol-4-yl)aniline

Mol. Formula:
C14H12N4

M.W.:
236.28

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
56.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4548393

Name:
4-(4-(4-(hydroxymethyl)phenyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C16H13N3O3

M.W.:
295.30

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
88.24

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

4-(1-Imidazolyl)benzoic Acid

Name:
4-(1H-imidazol-1-yl)benzoic acid

Mol. Formula:
C10H8N2O2

M.W.:
188.19

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.57

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA4527609

Name:
3-(4-phenyl-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C15H11N3O2

M.W.:
265.27

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4526699

Name:
4-(4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C15H12N4O2

M.W.:
280.29

6 activity values

2 unique targets

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
94.03

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4525319

Name:
4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C12H11N3O2

M.W.:
229.24

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

2-(1H-Imidazol-1-yl)aniline

Name:
2-(1H-imidazol-1-yl)aniline

Mol. Formula:
C9H9N3

M.W.:
159.19

6 activity values

4 unique targets

Type:
Unknown

AlogP:
1.45

Polar Surface Area:
43.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA4515610

Name:
4-(4-(2-((cyclohexylmethyl)amino)phenyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C22H24N4O2

M.W.:
376.46

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4476504

Name:
4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C15H11N3O2

M.W.:
265.27

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4475998

Name:
4-(4-(methoxymethyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C11H11N3O3

M.W.:
233.23

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.11

Polar Surface Area:
77.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS