Compounds

ALA5208410

Name:
bis(thiazol-5-ylmethyl) 2,6-dimethyl-4-(1-methyl-1H-indazol-5-yl)-1,4-dihydShow More⌵

Mol. Formula:
C25H23N5O4S2

M.W.:
521.62

1 activity values

1 unique targets

Type:
---

AlogP:
4.21

Polar Surface Area:
108.23

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5204506

Name:
dimethyl 4-(1H-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylaShow More⌵

Mol. Formula:
C19H20N2O4

M.W.:
340.38

1 activity values

1 unique targets

Type:
---

AlogP:
2.75

Polar Surface Area:
80.42

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5199616

Name:
3-benzyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(1-methyl-1H-indazol-5-yl)-1,4-dShow More⌵

Mol. Formula:
C27H29N3O5

M.W.:
475.55

1 activity values

1 unique targets

Type:
---

AlogP:
3.74

Polar Surface Area:
91.68

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5198190

Name:
dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxyShow More⌵

Mol. Formula:
C18H21NO5

M.W.:
331.37

Type:
---

AlogP:
2.28

Polar Surface Area:
73.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5194762

Name:
dimethyl 2,6-dimethyl-4-(1-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-Show More⌵

Mol. Formula:
C19H21N3O4

M.W.:
355.39

1 activity values

1 unique targets

Type:
---

AlogP:
2.15

Polar Surface Area:
82.45

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5193756

Name:
bis((S)-1-phenylethyl) 2,6-dimethyl-4-(1-methyl-1H-indazol-5-yl)-1,4-dihydrShow More⌵

Mol. Formula:
C33H33N3O4

M.W.:
535.64

1 activity values

1 unique targets

Type:
---

AlogP:
6.42

Polar Surface Area:
82.45

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5192887

Name:
dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarShow More⌵

Mol. Formula:
C19H23NO6

M.W.:
361.39

1 activity values

1 unique targets

Type:
---

AlogP:
2.28

Polar Surface Area:
83.09

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5183406

Name:
dibenzyl 2,6-dimethyl-4-(1-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-Show More⌵

Mol. Formula:
C31H29N3O4

M.W.:
507.59

1 activity values

1 unique targets

Type:
---

AlogP:
5.29

Polar Surface Area:
82.45

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5183221

Name:
dimethyl 4-(3,4-difluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbShow More⌵

Mol. Formula:
C17H17F2NO4

M.W.:
337.32

1 activity values

1 unique targets

Type:
---

AlogP:
2.55

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5181197

Name:
bis(thiophen-2-ylmethyl) 2,6-dimethyl-4-(1-methyl-1H-indazol-5-yl)-1,4-dihyShow More⌵

Mol. Formula:
C27H25N3O4S2

M.W.:
519.65

1 activity values

1 unique targets

Type:
---

AlogP:
5.42

Polar Surface Area:
82.45

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5178800

Name:
bis(furan-2-ylmethyl) 2,6-dimethyl-4-(1-methyl-1H-indazol-5-yl)-1,4-dihydroShow More⌵

Mol. Formula:
C27H25N3O6

M.W.:
487.51

1 activity values

1 unique targets

Type:
---

AlogP:
4.48

Polar Surface Area:
108.73

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5176107

Name:
dibenzyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylaShow More⌵

Mol. Formula:
C29H26N2O6

M.W.:
498.54

1 activity values

1 unique targets

Type:
---

AlogP:
5.32

Polar Surface Area:
107.77

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5174670

Name:
dimethyl 2,6-dimethyl-4-(1-methyl-1H-indazol-6-yl)-1,4-dihydropyridine-3,5-Show More⌵

Mol. Formula:
C19H21N3O4

M.W.:
355.39

1 activity values

1 unique targets

Type:
---

AlogP:
2.15

Polar Surface Area:
82.45

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5170293

Name:
dimethyl 4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylaShow More⌵

Mol. Formula:
C18H18N2O4

M.W.:
326.35

Type:
---

AlogP:
2.14

Polar Surface Area:
88.42

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4649493

Name:
(R)-5-Benzyl-6-((1-(4-chlorophenyl)ethyl)amino)-1-cyclopentyl-1,5-dihydro-4Show More⌵

Mol. Formula:
C25H26ClN5O

M.W.:
447.97

6 activity values

4 unique targets

Type:
Unknown

AlogP:
5.58

Polar Surface Area:
64.74

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4649481

Name:
(S)-1-(tert-Butyl)-6-((2,3-dihydro-1H-inden-1-yl)amino)-5-(4-fluorobenzyl)-Show More⌵

Mol. Formula:
C25H26FN5O

M.W.:
431.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
64.74

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4649440

Name:
(R)-6-((1-(4-Chlorophenyl)ethyl)amino)-1-cyclopentyl-5-ethyl-1,5-dihydro-4HShow More⌵

Mol. Formula:
C20H24ClN5O

M.W.:
385.90

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
64.74

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4647278

Name:
(R)-5-Benzyl-1-(tert-butyl)-6-((1-(4-fluorophenyl)ethyl)amino)-1,5-dihydro-Show More⌵

Mol. Formula:
C24H26FN5O

M.W.:
419.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
64.74

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4646928

Name:
(R)-6-((1-(4-Chlorophenyl)ethyl)amino)-1-isopropyl-5-(thiophen-3-ylmethyl)-Show More⌵

Mol. Formula:
C21H22ClN5OS

M.W.:
427.96

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
64.74

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4646295

Name:
(R)-6-((1-(4-Chlorophenyl)ethyl)amino)-1-isopropyl-5-(pyridin-4-ylmethyl)-1Show More⌵

Mol. Formula:
C22H23ClN6O

M.W.:
422.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
77.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS