Compounds

ALA5266300

Name:
2-hydroxy-N,N-dimethyl-3-((2-(((R)-1-(5-methylfuran-2-yl)propyl)amino)-3,4-Show More⌵

Mol. Formula:
C21H25N3O5

M.W.:
399.45

Type:
---

AlogP:
2.04

Polar Surface Area:
111.88

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5276296

Name:
3-((3,4-Dioxo-2-(phenylamino)cyclobut-1-en-1-yl)amino)-2-hydroxy-N,N-dimethShow More⌵

Mol. Formula:
C19H17N3O4

M.W.:
351.36

Type:
---

AlogP:
2.18

Polar Surface Area:
98.74

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5203743

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)purin-6-yl)amino]propanol

Mol. Formula:
C15H15F2N5OS

M.W.:
351.38

2 activity values

1 unique targets

Type:
---

AlogP:
2.72

Polar Surface Area:
86.72

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5203131

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)-5,6,7,8-tetrahydropyrido[4,3-d]pyriShow More⌵

Mol. Formula:
C17H20F2N4OS

M.W.:
366.44

2 activity values

1 unique targets

Type:
---

AlogP:
2.49

Polar Surface Area:
70.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5201451

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)benzo[d]pyrimidine-4-yl)amino]propanShow More⌵

Mol. Formula:
C18H17F2N3OS

M.W.:
361.42

2 activity values

1 unique targets

Type:
---

AlogP:
3.99

Polar Surface Area:
58.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5199496

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)-5,6,7,8-tetrahydropyrido[3,4-d]pyriShow More⌵

Mol. Formula:
C17H20F2N4OS

M.W.:
366.44

2 activity values

1 unique targets

Type:
---

AlogP:
2.49

Polar Surface Area:
70.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5195797

Name:
(2R)-2-[(6-(2,3-Difluorobenzylmercapto)isoxazolo[5,4-d]pyrimidine-4-yl)aminShow More⌵

Mol. Formula:
C15H14F2N4O2S

M.W.:
352.37

2 activity values

1 unique targets

Type:
---

AlogP:
2.98

Polar Surface Area:
84.07

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5186932

Name:
(2R)-2-[(5-(2,3-Difluorobenzylmercapto)thiazolo[4,5-d]pyrimidin-7-yl)amino]Show More⌵

Mol. Formula:
C15H14F2N4OS2

M.W.:
368.43

2 activity values

1 unique targets

Type:
---

AlogP:
3.45

Polar Surface Area:
70.93

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5184465

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)pyrido[2,3-d]pyrimidine-4-yl)amino]pShow More⌵

Mol. Formula:
C17H16F2N4OS

M.W.:
362.40

2 activity values

1 unique targets

Type:
---

AlogP:
3.39

Polar Surface Area:
70.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5183834

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)pyrido[3,4-d]pyrimidine-4-yl)amino]pShow More⌵

Mol. Formula:
C17H16F2N4OS

M.W.:
362.40

2 activity values

1 unique targets

Type:
---

AlogP:
3.39

Polar Surface Area:
70.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5183117

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amShow More⌵

Mol. Formula:
C16H16F2N4OS

M.W.:
350.39

2 activity values

1 unique targets

Type:
---

AlogP:
3.09

Polar Surface Area:
62.45

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5182926

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)pyrrolo[3,2-d]pyrimidin-4-yl)amino]pShow More⌵

Mol. Formula:
C16H16F2N4OS

M.W.:
350.39

2 activity values

1 unique targets

Type:
---

AlogP:
3.32

Polar Surface Area:
73.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5179622

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)pyrrolo[2,3-d]pyrimidine-4-yl)amino]Show More⌵

Mol. Formula:
C16H16F2N4OS

M.W.:
350.39

2 activity values

1 unique targets

Type:
---

AlogP:
3.32

Polar Surface Area:
73.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5179345

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)thieno[3,2-d]pyrimidine-4-yl)amino]pShow More⌵

Mol. Formula:
C16H15F2N3OS2

M.W.:
367.45

2 activity values

1 unique targets

Type:
---

AlogP:
4.05

Polar Surface Area:
58.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5174137

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)pyrido[3,2-d]pyrimidine-4-yl)amino]pShow More⌵

Mol. Formula:
C17H16F2N4OS

M.W.:
362.40

2 activity values

1 unique targets

Type:
---

AlogP:
3.39

Polar Surface Area:
70.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5173775

Name:
(R)-2-((5-((2,3-difluorobenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yShow More⌵

Mol. Formula:
C14H14F2N6OS

M.W.:
352.37

2 activity values

1 unique targets

Type:
---

AlogP:
2.11

Polar Surface Area:
99.61

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5171358

Name:
(2R)-2-[(2-(2,3-Difluorobenzylmercapto)thieno[2,3-d]pyrimidin-4-yl)amino]prShow More⌵

Mol. Formula:
C16H15F2N3OS2

M.W.:
367.45

2 activity values

1 unique targets

Type:
---

AlogP:
4.05

Polar Surface Area:
58.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5094843

Name:
N-(3-(Dimethylamino)carbonyl)-2-hydroxy-phenyl)-1-(2,4-dichlorophenyl)-4-MeShow More⌵

Mol. Formula:
C19H17Cl2N5O4

M.W.:
450.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
109.46

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5094414

Name:
N-(3-(Dimethylamino)carbonyl)-2-hydroxy-phenyl)-4-methyl-6-oxo-1-phenyl-1,6Show More⌵

Mol. Formula:
C21H20N4O4

M.W.:
392.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
104.53

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5094410

Name:
1-(8-Hydroxy-1,1-dioxidothiochroman-7-yl)-3-(2-(trifluoromethyl)phenyl)urea

Mol. Formula:
C17H15F3N2O4S

M.W.:
400.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS