Compounds

ALA1162920

Name:
(R)-5-(2-aminoethyl)-1-(6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazShow More⌵

Mol. Formula:
C16H20ClF2N3O

M.W.:
343.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
39.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA557401

Name:
(R)-5-(2-(benzylamino)ethyl)-1-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)-1H-iShow More⌵

Mol. Formula:
C21H24ClN3O2S

M.W.:
417.96

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
59.31

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA538332

Name:
(R)-5-(aminomethyl)-1-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-Show More⌵

Mol. Formula:
C13H16ClN3O2S

M.W.:
313.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
73.30

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA538087

Name:
(R)-5-(2-aminoethyl)-1-(8-chloro-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-Show More⌵

Mol. Formula:
C15H19Cl2N3O2S

M.W.:
376.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
62.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA541901

Name:
(S)-5-(2-aminoethyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2(3Show More⌵

Mol. Formula:
C15H20ClN3S

M.W.:
309.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
43.84

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA553489

Name:
(R)-5-(aminomethyl)-1-(6,8-difluoro-chroman-3-yl)-1,3-dihydroimidazole-2-thShow More⌵

Mol. Formula:
C13H14ClF2N3OS

M.W.:
333.79

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
53.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA541640

Name:
(S)-5-(3-aminopropyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1HShow More⌵

Mol. Formula:
C16H20ClF2N3S

M.W.:
359.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
43.84

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA540624

Name:
(R)-1-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)-5-(2-(methylamino)ethyl)-1H-iShow More⌵

Mol. Formula:
C15H20ClN3O2S

M.W.:
341.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
59.31

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA540875

Name:
(R)-5-(2-aminoethyl)-1-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)-1H-imidazoleShow More⌵

Mol. Formula:
C14H18ClN3O2S

M.W.:
327.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
73.30

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA540106

Name:
(R)-1-(3,4-dihydro-2H-chromen-3-yl)-5-(2-(methylamino)ethyl)-1H-imidazole-2Show More⌵

Mol. Formula:
C15H20ClN3OS

M.W.:
325.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
39.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

Etamicastat hydrochloride

Name:
(R)-5-(2-aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thShow More⌵

Mol. Formula:
C14H16ClF2N3OS

M.W.:
347.82

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
53.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA536968

Name:
(R)-5-(2-aminoethyl)-1-(6,7-difluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazShow More⌵

Mol. Formula:
C14H16ClF2N3OS

M.W.:
347.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
53.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA556569

Name:
(S)-5-(2-aminoethyl)-1-(6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazShow More⌵

Mol. Formula:
C14H16ClF2N3OS

M.W.:
347.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
53.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA536966

Name:
(R)-5-(aminomethyl)-1-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2(3H)-thioShow More⌵

Mol. Formula:
C13H16ClN3OS

M.W.:
297.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
53.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA556568

Name:
(R)-5-(2-aminoethyl)-1-(8-hydroxy-3,4-dihydro-2H-chromen-3-yl)-1H-imidazoleShow More⌵

Mol. Formula:
C14H18ClN3O2S

M.W.:
327.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
73.30

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA536737

Name:
(R)-5-(2-aminoethyl)-1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-imidazoleShow More⌵

Mol. Formula:
C15H20ClN3O2S

M.W.:
341.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
62.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA536736

Name:
(R)-5-(2-aminoethyl)-1-(8-fluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-Show More⌵

Mol. Formula:
C14H17ClFN3OS

M.W.:
329.83

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
53.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA557372

Name:
(R)-5-(2-aminoethyl)-1-(8-nitro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2Show More⌵

Mol. Formula:
C14H17ClN4O3S

M.W.:
356.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
96.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA536735

Name:
(R)-5-(2-aminoethyl)-1-(6-nitro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2Show More⌵

Mol. Formula:
C14H17ClN4O3S

M.W.:
356.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
96.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA536506

Name:
(R)-5-(2-aminoethyl)-1-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imiShow More⌵

Mol. Formula:
C14H15ClF3N3OS

M.W.:
365.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
53.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS