Compounds

ALA4546659

Name:
(S)-4-(1-(2-aminopyrimidin-4-yl)-2-ethoxy-1H-benzo[d]imidazol-6-yl)-2-(5-meShow More⌵

Mol. Formula:
C21H20N6O3

M.W.:
404.43

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
125.11

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4524153

Name:
(R)-4-(1-(2-aminopyrimidin-4-yl)-2-ethoxy-1H-benzo[d]imidazol-6-yl)-2-(5-meShow More⌵

Mol. Formula:
C21H20N6O3

M.W.:
404.43

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
125.11

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4517096

Name:
NA

Mol. Formula:
C26H26N4O2

M.W.:
426.52

9 activity values

6 unique targets

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
86.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4461552

Name:
NA

Mol. Formula:
C21H21N3O

M.W.:
331.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
60.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4444206

Name:
NA

Mol. Formula:
C25H25N5O3

M.W.:
443.51

12 activity values

8 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
116.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3978002

Name:
NA

Mol. Formula:
C22H20N4O3

M.W.:
388.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
107.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3941082

Name:
3-cyclopropyl-10-((S)-3-hydroxy-3-(5-methylisoxazol-3-yl)but-1-ynyl)-5,6-diShow More⌵

Mol. Formula:
C23H22N4O4

M.W.:
418.45

14 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
116.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1683442

Name:
N-(3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)phenyl)acetamide

Mol. Formula:
C22H25N5O

M.W.:
375.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
64.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1683441

Name:
(S)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)Show More⌵

Mol. Formula:
C25H26N4O3

M.W.:
430.51

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
100.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1683440

Name:
(R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)Show More⌵

Mol. Formula:
C25H26N4O3

M.W.:
430.51

25 activity values

17 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
100.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1683439

Name:
N-(2-cyanopropan-2-yl)-3-(5-(4-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyShow More⌵

Mol. Formula:
C26H28N4O3

M.W.:
444.54

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
100.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1683438

Name:
N-(cyanomethyl)-3-(5-(4-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)isoxaShow More⌵

Mol. Formula:
C24H24N4O3

M.W.:
416.48

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
100.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1683437

Name:
N-isopropyl-3-(5-(4-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)isoxazol-Show More⌵

Mol. Formula:
C25H29N3O3

M.W.:
419.53

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
76.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1683436

Name:
(R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)methyl)phenyl)isoxazol-3-yl)bShow More⌵

Mol. Formula:
C23H24N4O2

M.W.:
388.47

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
90.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1683435

Name:
(R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)methyl)phenyl)-1H-pyrazol-3-yShow More⌵

Mol. Formula:
C23H25N5O

M.W.:
387.49

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
93.60

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1683434

Name:
N-isopropyl-3-(5-(4-((2,2,2-trifluoroethylamino)methyl)phenyl)-1H-pyrazol-3Show More⌵

Mol. Formula:
C22H23F3N4O

M.W.:
416.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
69.81

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1683433

Name:
N-isopropyl-3-(5-(4-((isopropylamino)methyl)phenyl)-1H-pyrazol-3-yl)benzamiShow More⌵

Mol. Formula:
C23H28N4O

M.W.:
376.50

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
69.81

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1683432

Name:
(S)-N-(1-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)isoxazol-3-yl)bShow More⌵

Mol. Formula:
C24H25N5O2

M.W.:
415.50

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
85.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1683431

Name:
(R)-N-(1-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)isoxazol-3-yl)bShow More⌵

Mol. Formula:
C24H25N5O2

M.W.:
415.50

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
85.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1683430

Name:
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)isoxazol-3-yl)benzamShow More⌵

Mol. Formula:
C23H23N5O2

M.W.:
401.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
85.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS