Compounds

ALA4168866

Name:
[3H]-11beta-(4-Azido-2,3,5,6-tetrafluorobenzoyloxy)-3alpha-hydroxy-5alpha-pShow More⌵

Mol. Formula:
C28H33F4N3O4

M.W.:
555.60

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.93

Polar Surface Area:
112.36

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4165822

Name:
[7H]-11-Aziallopregnanolone

Mol. Formula:
C21H32N2O2

M.W.:
348.52

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
62.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA395137

Name:
4-chloromethyl-1-(2,6-dichloro-4-trifluoromethylphenyl)-5-n-propyl-1H-1,2,3Show More⌵

Mol. Formula:
C13H11Cl3F3N3

M.W.:
372.61

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA235623

Name:
5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-n-propyl-1H-1,2,3Show More⌵

Mol. Formula:
C13H11Cl3F3N3

M.W.:
372.61

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA235407

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4-hydroxymethyl-5-n-propyl-1H-1,2,Show More⌵

Mol. Formula:
C13H12Cl2F3N3O

M.W.:
354.16

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA395136

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-5-hydroxymethyl-4-n-propyl-1H-1,2,Show More⌵

Mol. Formula:
C13H12Cl2F3N3O

M.W.:
354.16

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA235406

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-di-npropyl-1H-1,2,3-triazole

Mol. Formula:
C15H16Cl2F3N3

M.W.:
366.21

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA235405

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5-n-propyl-1H-1,2,3-triazoShow More⌵

Mol. Formula:
C14H14Cl2F3N3

M.W.:
352.19

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA236671

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethyl-4-n-propyl-1H-1,2,3-triazoShow More⌵

Mol. Formula:
C14H14Cl2F3N3

M.W.:
352.19

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA396305

Name:
1-(2,6-dibromo-4-trifluoromethylphenyl)-5-methyl-4-n-propyl-1H-1,2,3-triazoShow More⌵

Mol. Formula:
C13H12Br2F3N3

M.W.:
427.06

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA428023

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4-methyl-5-n-propyl-1H-1,2,3-triazShow More⌵

Mol. Formula:
C13H12Cl2F3N3

M.W.:
338.16

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA236471

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-5-methyl-4-n-propyl-1H-1,2,3-triazShow More⌵

Mol. Formula:
C13H12Cl2F3N3

M.W.:
338.16

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA392036

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-diethyl-1H-1,2,3-triazole

Mol. Formula:
C13H12Cl2F3N3

M.W.:
338.16

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA236470

Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-ethyl-4-methyl-1H-1,2,3-triazoShow More⌵

Mol. Formula:
C12H10Cl2F3N3

M.W.:
324.13

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA392035

Name:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5-methyl-1H-1,2,3-triazole

Mol. Formula:
C12H10Cl2F3N3

M.W.:
324.13

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA329306

Name:
1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-(3-trifluoromethyl-3H-diazirin-Show More⌵

Mol. Formula:
C12H4Cl2F6N4

M.W.:
389.09

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
42.54

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS