Compounds

ALA5207589

Name:
1-(2,3,4-trichlorophenyl)-1H-1,2,3-triazole

Mol. Formula:
C8H4Cl3N3

M.W.:
248.50

1 activity values

1 unique targets

Type:
---

AlogP:
3.23

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5206349

Name:
1-(2,4-Dichloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole-4,5-d2

Mol. Formula:
C9H4Cl2F3N3

M.W.:
284.06

7 activity values

3 unique targets

Type:
---

AlogP:
3.59

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5204800

Name:
((3,4-Dimethylphenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C11H13N3O

M.W.:
203.25

1 activity values

1 unique targets

Type:
---

AlogP:
1.38

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5203607

Name:
(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C11H11N3O3

M.W.:
233.23

1 activity values

1 unique targets

Type:
---

AlogP:
0.53

Polar Surface Area:
69.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5202988

Name:
1-(1-(2,4-Dichloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)ethan-1Show More⌵

Mol. Formula:
C11H8Cl2F3N3O

M.W.:
326.11

1 activity values

1 unique targets

Type:
---

AlogP:
3.65

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5201676

Name:
1-(2,4-dichloro-3-(trifluoromethyl)phenyl)-N-methyl-1H-1,2,3-triazole-4-carShow More⌵

Mol. Formula:
C11H7Cl2F3N4O

M.W.:
339.10

1 activity values

1 unique targets

Type:
---

AlogP:
2.95

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5201400

Name:
((2,4-Dichlorophenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C9H7Cl2N3O

M.W.:
244.08

1 activity values

1 unique targets

Type:
---

AlogP:
2.07

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5198105

Name:
((3,4-Bis(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C11H7F6N3O

M.W.:
311.18

1 activity values

1 unique targets

Type:
---

AlogP:
2.80

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5197254

Name:
3-((1-(2,4-dichloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methylShow More⌵

Mol. Formula:
C13H10Cl2F3N3O2

M.W.:
368.14

1 activity values

1 unique targets

Type:
---

AlogP:
2.90

Polar Surface Area:
60.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5197210

Name:
2-(1-(2,4-Dichloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)ethan-1Show More⌵

Mol. Formula:
C11H8Cl2F3N3O

M.W.:
326.11

1 activity values

1 unique targets

Type:
---

AlogP:
3.13

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5196034

Name:
((3-Trifluoromethylphenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C10H8F3N3O

M.W.:
243.19

1 activity values

1 unique targets

Type:
---

AlogP:
1.78

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5194030

Name:
3,5-dichloro-2-(1H-1,2,3-triazol-1-yl)-4-(trifluoromethyl)pyridine

Mol. Formula:
C8H3Cl2F3N4

M.W.:
283.04

7 activity values

3 unique targets

Type:
---

AlogP:
2.99

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5194024

Name:
1-(2,4-dichloro-3-(trifluoromethyl)phenyl)-4-methyl-1H-1,2,3-triazole

Mol. Formula:
C10H6Cl2F3N3

M.W.:
296.08

1 activity values

1 unique targets

Type:
---

AlogP:
3.90

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5190374

Name:
((4-Trifluoromethylphenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C10H8F3N3O

M.W.:
243.19

1 activity values

1 unique targets

Type:
---

AlogP:
1.78

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5189276

Name:
1-(2,4-dichloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole-4-carboxamide

Mol. Formula:
C10H5Cl2F3N4O

M.W.:
325.08

1 activity values

1 unique targets

Type:
---

AlogP:
2.69

Polar Surface Area:
73.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5188591

Name:
((4-Ethoxyphenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C11H13N3O2

M.W.:
219.24

1 activity values

1 unique targets

Type:
---

AlogP:
1.16

Polar Surface Area:
60.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5188040

Name:
3-(1-(2,4-dichloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)propan-Show More⌵

Mol. Formula:
C12H10Cl2F3N3O

M.W.:
340.13

1 activity values

1 unique targets

Type:
---

AlogP:
3.52

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5187745

Name:
(1-(2,4-dichloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanamiShow More⌵

Mol. Formula:
C10H7Cl2F3N4

M.W.:
311.09

1 activity values

1 unique targets

Type:
---

AlogP:
3.05

Polar Surface Area:
56.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5184800

Name:
((4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C10H7ClF3N3O

M.W.:
277.63

1 activity values

1 unique targets

Type:
---

AlogP:
2.43

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5183575

Name:
((2-Fluorophenyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C9H8FN3O

M.W.:
193.18

1 activity values

1 unique targets

Type:
---

AlogP:
0.90

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS