Compounds

ALA3715373

Name:
3-Methyl-oxetane-3-carboxylic acid methyl-[3-[(5-methyl-pyrazin-2-ylmethyl)Show More⌵

Mol. Formula:
C25H27N5O3

M.W.:
445.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
97.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3716562

Name:
N-((S)-2-Hydroxy-1-methyl-ethyl)-3-(isobutyryl-methyl-amino)-5-(5-methyl-pyShow More⌵

Mol. Formula:
C21H27N3O3

M.W.:
369.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
82.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3717702

Name:
3-(Isobutyryl-methyl-amino)-N-(5-methyl-pyrazin-2-ylmethyl)-5-(5-methyl-pyrShow More⌵

Mol. Formula:
C24H27N5O2

M.W.:
417.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
88.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3715993

Name:
3-(Isobutyryl-methyl-amino)-5-(5-methyl-pyridin-2-yl)-N-(1-pyrazin-2-yl-ethShow More⌵

Mol. Formula:
C24H27N5O2

M.W.:
417.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
88.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3715344

Name:
3-(5-Chloro-pyridin-2-yl)-N-((S)-2-hydroxy-1-methyl-ethyl)-5-(isobutyryl-meShow More⌵

Mol. Formula:
C20H24ClN3O3

M.W.:
389.88

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
82.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3719191

Name:
3-(5-Chloro-pyridin-2-yl)-5-(isobutyryl-methyl-amino)-N-(5-methyl-pyrazin-2Show More⌵

Mol. Formula:
C22H22ClN5O2

M.W.:
423.90

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
88.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3718916

Name:
3-(5-Chloro-pyridin-2-yl)-5-(isobutyryl-methyl-amino)-N-(1-pyrazin-2-yl-ethShow More⌵

Mol. Formula:
C23H24ClN5O2

M.W.:
437.93

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
88.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3718512

Name:
2',4'-Difluoro-5-(isobutyryl-methyl-amino)-biphenyl-3-carboxylic acid(1-pyrShow More⌵

Mol. Formula:
C24H24F2N4O2

M.W.:
438.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3718483

Name:
2',4'-Difluoro-5-(isobutyryl-methyl-amino)-biphenyl-3-carboxylic acid((R)-2Show More⌵

Mol. Formula:
C22H26F2N2O3

M.W.:
404.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3716240

Name:
2',4'-Dichloro-5-(isobutyryl-methyl-amino)-biphenyl-3-carboxylic acid(1-pyrShow More⌵

Mol. Formula:
C24H24Cl2N4O2

M.W.:
471.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3714951

Name:
2',4'-Dichloro-5-(isobutyryl-methyl-amino)-biphenyl-3-carboxylic acid((R)-2Show More⌵

Mol. Formula:
C22H26Cl2N2O3

M.W.:
437.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3718485

Name:
5-(Isobutyryl-methyl-amino)-4'-methyl-biphenyl-3-carboxylic acid(pyrazin-2-Show More⌵

Mol. Formula:
C24H26N4O2

M.W.:
402.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3716874

Name:
1-Acetyl-piperidine-4-carboxylic acid methyl-[4'-methyl-5-(1-pyrazin-2-yl-eShow More⌵

Mol. Formula:
C29H33N5O3

M.W.:
499.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
95.50

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3718318

Name:
2'-Fluoro-5-(isobutyryl-methyl-amino)-4'-methyl-biphenyl-3-carboxylic acid(Show More⌵

Mol. Formula:
C24H25FN4O2

M.W.:
420.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3715582

Name:
2'-Fluoro-5-(isobutyryl-methyl-amino)-4'-methyl-biphenyl-3-carboxylic acid(Show More⌵

Mol. Formula:
C22H27FN2O3

M.W.:
386.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3717520

Name:
2'-Fluoro-5-(isobutyryl-methyl-amino)-4'-methyl-biphenyl-3-carboxylic acid(Show More⌵

Mol. Formula:
C25H27FN4O2

M.W.:
434.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3715819

Name:
4'-Chloro-5-(trimethyl-ureido)-biphenyl-3-carboxylic acid(1-pyrazin-2-yl-etShow More⌵

Mol. Formula:
C23H24ClN5O2

M.W.:
437.93

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
78.43

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3717189

Name:
2'-Chloro-5-(isobutyryl-methyl-amino)-4'-methyl-biphenyl-3-carboxylic acid(Show More⌵

Mol. Formula:
C24H25ClN4O2

M.W.:
436.94

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3716021

Name:
2'-Chloro-5-(isobutyryl-methyl-amino)-4'-methyl-biphenyl-3-carboxylic acid(Show More⌵

Mol. Formula:
C22H27ClN2O3

M.W.:
402.92

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3717333

Name:
4'-Methyl-5-[methyl-(2-methyl-butyryl)-amino]-biphenyl-3-carboxylic acid((SShow More⌵

Mol. Formula:
C23H30N2O3

M.W.:
382.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS