Compounds

ALA4590209

Name:
Diethyl (1RS,3aSR,6aSR)-5-(1,1'-Biphenyl)-4-yl-4,6-dioxo-1-phenyl-1,3a,4,5,Show More⌵

Mol. Formula:
C28H27N2O5P

M.W.:
502.51

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.66

Polar Surface Area:
85.27

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4438801

Name:
Diethyl (1RS,3aSR,6aSR)-5-(3-Nitrophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-Show More⌵

Mol. Formula:
C22H22N3O7P

M.W.:
471.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
128.41

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3547056

Name:
US9303019, 1

Mol. Formula:
C12H15ClN2

M.W.:
222.72

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3546402

Name:
US9303019, 9

Mol. Formula:
C15H20N2

M.W.:
228.34

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3546401

Name:
US9303019, 8

Mol. Formula:
C14H17ClN2

M.W.:
248.76

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3546398

Name:
US9303019, 20

Mol. Formula:
C14H17ClN2

M.W.:
248.76

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3546379

Name:
US9303019, 5

Mol. Formula:
C14H18N2

M.W.:
214.31

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2367779

Name:
2-[(1R,2S)-2-phenylcyclopropyl]-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H14N2

M.W.:
186.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA2367778

Name:
2-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H14N2

M.W.:
186.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA2092861

Name:
(S) 2-(1-Methyl-2-phenyl-ethyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H16N2

M.W.:
188.27

14 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2092860

Name:
(S)-2-(2-Phenyl-propyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H16N2

M.W.:
188.27

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA1907832

Name:
(R) 2-(1-Methyl-2-phenyl-ethyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H16N2

M.W.:
188.27

11 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA1907831

Name:
(R)-2-(2-Phenyl-propyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H16N2

M.W.:
188.27

11 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA468161

Name:
1-(4-chloro-2-iodo-5-{[(2E)-5-methylpyrrolidin-2-ylidene]amino}phenyl)triazShow More⌵

Mol. Formula:
C11H12ClIN5+

M.W.:
376.61

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
74.70

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA93845

Name:
(1R,2R) 2-(2-Phenyl-cyclopropyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H14N2

M.W.:
186.26

16 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA94022

Name:
(1S,2S) 2-(2-Phenyl-cyclopropyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H14N2

M.W.:
186.26

18 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA71429

Name:
2-(1-Methyl-2-phenyl-ethyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H16N2

M.W.:
188.27

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA67706

Name:
2-(2-Phenyl-cyclopropyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H14N2

M.W.:
186.26

18 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA68608

Name:
2-(2-Phenyl-propyl)-4,5-dihydro-1H-imidazole

Mol. Formula:
C12H16N2

M.W.:
188.27

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA61689

Name:
2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihydro-2H-naphtho[2,3-b][1,4Show More⌵

Mol. Formula:
C16H17N3O

M.W.:
267.33

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
36.86

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS