Compounds

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
85.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA192585

Name:
(4-Chloro-phenyl)-thiocarbamic acid 1-((R)-2,4-dichloro-phenyl)-2-imidazol-Show More⌵

Mol. Formula:
C18H14Cl3N3OS

M.W.:
426.76

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
39.08

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA190318

Name:
(2,4-Dichloro-phenyl)-thiocarbamic acid 1-((S)-2,4-dichloro-phenyl)-2-imidaShow More⌵

Mol. Formula:
C18H13Cl4N3OS

M.W.:
461.20

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
39.08

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA191561

Name:
(4-Chloro-phenyl)-thiocarbamic acid 1-((S)-2,4-dichloro-phenyl)-2-imidazol-Show More⌵

Mol. Formula:
C18H14Cl3N3OS

M.W.:
426.76

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
39.08

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA366196

Name:
(2,4-Dichloro-phenyl)-thiocarbamic acid 1-((R)-2,4-dichloro-phenyl)-2-imidaShow More⌵

Mol. Formula:
C18H13Cl4N3OS

M.W.:
461.20

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
39.08

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA363303

Name:
N-(4-Chloro-phenyl)-N'-(3-cyano-benzoyl)-N''-[1-((R)-2,4-dichloro-phenyl)-2Show More⌵

Mol. Formula:
C26H19Cl3N6O

M.W.:
537.84

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
95.10

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA193098

Name:
N-(4-Chloro-phenyl)-N'-(3-cyano-benzoyl)-N''-[1-((S)-2,4-dichloro-phenyl)-2Show More⌵

Mol. Formula:
C26H19Cl3N6O

M.W.:
537.84

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
95.10

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA268271

Name:
3-Hydroxy-2,2-dimethyl-4-(oxazol-2-ylmethyl-phenyl-amino)-chroman-6-carboniShow More⌵

Mol. Formula:
C22H21N3O3

M.W.:
375.43

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
82.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA11502

Name:
4-[(4-Chloro-phenyl)-(1H-imidazol-2-ylmethyl)-amino]-2,2-dimethyl-6-(piperiShow More⌵

Mol. Formula:
C26H31ClN4O4S

M.W.:
531.08

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
98.76

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA11802

Name:
N-(4-chlorophenyl)-N'-cyano-N''-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4Show More⌵

Mol. Formula:
C20H18ClN5O2

M.W.:
395.85

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
113.46

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA11859

Name:
4-[(4-Chloro-phenyl)-(1H-imidazol-2-ylmethyl)-amino]-3-hydroxy-2,2-dimethylShow More⌵

Mol. Formula:
C22H21ClN4O2

M.W.:
408.89

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
85.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA273900

Name:
3-Hydroxy-4-[(1H-imidazol-2-ylmethyl)-phenyl-amino]-2,2-dimethyl-chroman-6-Show More⌵

Mol. Formula:
C22H22N4O2

M.W.:
374.44

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
85.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA273271

Name:
4-[(4-Chloro-phenyl)-(1H-imidazol-2-ylmethyl)-amino]-2,2-dimethyl-6-(piperiShow More⌵

Mol. Formula:
C26H31ClN4O4S

M.W.:
531.08

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
98.76

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA11183

Name:
2,2-Dimethyl-4-(2-methyl-imidazol-1-ylamino)-6-(piperidine-1-sulfonyl)-chroShow More⌵

Mol. Formula:
C20H28N4O4S

M.W.:
420.54

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
96.69

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA11392

Name:
(6-Cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-phenyl-carbamic acid ethyl esShow More⌵

Mol. Formula:
C21H22N2O4

M.W.:
366.42

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
82.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA274443

Name:
4-(4-Chloro-phenylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

Mol. Formula:
C18H17ClN2O2

M.W.:
328.80

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
65.28

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA428891

Name:
3-Hydroxy-4-[(1H-imidazol-2-ylmethyl)-phenyl-amino]-2,2-dimethyl-chroman-6-Show More⌵

Mol. Formula:
C22H22N4O2

M.W.:
374.44

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
85.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA429014

Name:
2,2-Dimethyl-4-(2-methyl-imidazol-1-ylamino)-6-(piperidine-1-sulfonyl)-chroShow More⌵

Mol. Formula:
C20H28N4O4S

M.W.:
420.54

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
96.69

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA269541

Name:
1-(3H-Imidazol-4-ylmethyl)-2-phenethyl-4-phenylmethanesulfonyl-2,3,4,5-tetrShow More⌵

Mol. Formula:
C28H30N4O2S

M.W.:
486.64

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
69.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA266556

Name:
1-(3H-Imidazol-4-ylmethyl)-2-phenethyl-4-trifluoromethanesulfonyl-2,3,4,5-tShow More⌵

Mol. Formula:
C22H23F3N4O2S

M.W.:
464.51