Compounds

ALA4289034

Name:
(S)-3-(1-(2-tert-butyl-2H-tetrazol-5-yl)-4-(2-chloroacetimidamido)butylcarbShow More⌵

Mol. Formula:
C19H26ClN7O3

M.W.:
435.92

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
145.88

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4216140

Name:
(S)-N-(1-(1H-benzo[d]imidazol-2-yl)-4-(2-fluoroacetimidamido)butyl)biphenylShow More⌵

Mol. Formula:
C26H26FN5O

M.W.:
443.53

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
93.66

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4204476

Name:
(S)-N-(1-(1H-benzo[d]imidazol-2-yl)-4-(2-chloroacetimidamido)butyl)biphenylShow More⌵

Mol. Formula:
C26H26ClN5O

M.W.:
459.98

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
93.66

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4105007

Name:
3-(2-(2-Isopropyl-1H-imidazol-1-yl)ethyl)-5,5-dimethylimidazolidine-2,4-dioShow More⌵

Mol. Formula:
C13H20N4O2

M.W.:
264.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
67.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4099728

Name:
3-(2-(5-(hydroxymethyl)-1H-imidazol-1-yl)ethyl)-5,5-dimethylimidazolidine-2Show More⌵

Mol. Formula:
C11H16N4O3

M.W.:
252.27

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
87.46

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4097305

Name:
5,5-dimethyl-3-(2-(4-methyl-1H-imidazol-1-yl)ethyl)imidazolidine-2,4-dione

Mol. Formula:
C11H16N4O2

M.W.:
236.28

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
67.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4081712

Name:
3-(2-(1H-1,2,4-Triazol-1-yl)ethyl)-5,5-dimethylimidazolidine-2,4-dione

Mol. Formula:
C9H13N5O2

M.W.:
223.24

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.39

Polar Surface Area:
80.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4080782

Name:
3-(2-(2,5-Dimethyl-1H-imidazol-1-yl)ethyl)-5,5-dimethylimidazolidine-2,4-diShow More⌵

Mol. Formula:
C12H18N4O2

M.W.:
250.30

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
67.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4077325

Name:
5,5-Dimethyl-3-(2-(4-methylpiperazin-1-yl)ethyl)imidazolidine-2,4-dione

Mol. Formula:
C12H22N4O2

M.W.:
254.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
55.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4070114

Name:
5,5-Dimethyl-3-(2-(2-methyl-1H-imidazol-1-yl)ethyl)imidazolidine-2,4-dione

Mol. Formula:
C11H16N4O2

M.W.:
236.28

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
67.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4062179

Name:
(S)-N-(1-(Benzylamino)-1-oxo-4-(1H-1,2,3-triazol-1-yl)butan-2-yl)-4-fluorobShow More⌵

Mol. Formula:
C20H20FN5O2

M.W.:
381.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
88.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4061452

Name:
3-(2-(1H-1,2,3-Triazol-1-yl)ethyl)-5,5-dimethylimidazolidine-2,4-dione

Mol. Formula:
C9H13N5O2

M.W.:
223.24

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.39

Polar Surface Area:
80.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4059499

Name:
5,5-Dimethyl-3-(2-morpholinoethyl)imidazolidine-2,4-dione

Mol. Formula:
C11H19N3O3

M.W.:
241.29

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.35

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3409969

Name:
(S)-2-(4-(2-chloroacetimidamido)-1-(2H-tetrazol-5-yl)butylcarbamoyl)benzoicShow More⌵

Mol. Formula:
C15H18ClN7O3

M.W.:
379.81

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
156.74

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2204314

Name:
(R)-1-(5-amino-4-(2-carboxybenzamido)-5-oxopentylamino)-2-fluoroethaniminiuShow More⌵

Mol. Formula:
C15H19FN4O4

M.W.:
338.34

15 activity values

7 unique targets

Type:
Small molecule

AlogP:
0.29

Polar Surface Area:
145.37

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2204313

Name:
(R)-1-(5-amino-4-benzamido-5-oxopentylamino)-2-chloroethaniminium

Mol. Formula:
C14H19ClN4O2

M.W.:
310.79

19 activity values

9 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
108.07

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS