Compounds

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4293629

Name:
N-(4-Chlorophenyl)-3-(4-hydroxyphenyl)propanamide

Mol. Formula:
C15H14ClNO2

M.W.:
275.74

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4286409

Name:
N1-(4-Chlorophenyl)-N2-(4-hydroxybenzyl)oxalamide

Mol. Formula:
C15H13ClN2O3

M.W.:
304.73

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4285229

Name:
N-((4-Hydroxyphenethyl)carbamoyl)-4-(2-methylbenzoyl)-benzamide

Mol. Formula:
C24H22N2O4

M.W.:
402.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4284508

Name:
N-(4-Hydroxyphenethyl)quinoline-2-carboxamide

Mol. Formula:
C18H16N2O2

M.W.:
292.34

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4283039

Name:
N1-(4-Chlorophenyl)-N2-(2-(4-hydroxyphenyl)propyl)oxalamide

Mol. Formula:
C17H17ClN2O3

M.W.:
332.79

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4281790

Name:
N-((4-Hydroxyphenethyl)carbamoyl)-4-(phenoxymethyl)-benzamide

Mol. Formula:
C23H22N2O4

M.W.:
390.44

4 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4278499

Name:
N1-Cyclopropyl-N2-(4-hydroxyphenethyl)oxalamide

Mol. Formula:
C13H16N2O3

M.W.:
248.28

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
78.43

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3394702

Name:
3-(1-(4-Fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-N-methyl-1H-pyrazoleShow More⌵

Mol. Formula:
C14H13FN6O2

M.W.:
316.30

Type:
Small molecule

AlogP:
0.30

Polar Surface Area:
97.60

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3394701

Name:
3-(1-(4-Fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-N-((1-methyl-1H-pyraShow More⌵

Mol. Formula:
C18H17FN8O2

M.W.:
396.39

Type:
Small molecule

AlogP:
0.61

Polar Surface Area:
115.42

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3394700

Name:
3-(1-(4-Fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-N-(oxazol-4-ylmethylShow More⌵

Mol. Formula:
C17H14FN7O3

M.W.:
383.34

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
123.63

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3394699

Name:
3-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-4-ylmethyShow More⌵

Mol. Formula:
C19H16FN7O2

M.W.:
393.38

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
110.49

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3394698

Name:
3-(1-(4-Fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-2-ylmethyShow More⌵

Mol. Formula:
C19H16FN7O2

M.W.:
393.38

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
110.49

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3394697

Name:
3-(1-(4-Fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyShow More⌵

Mol. Formula:
C19H16FN7O2

M.W.:
393.38

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
110.49

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3394696

Name:
2-(1-(1-(4-Fluorophenyl)ethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-Show More⌵

Mol. Formula:
C21H19FN6O2S

M.W.:
438.49

6 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
94.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3394695

Name:
4-Methyl-2-(5-oxo-1-(4-(trifluoromethyl)benzyl)-1H-1,2,4-triazol-4(5H)-yl)-Show More⌵

Mol. Formula:
C21H17F3N6O2S

M.W.:
474.47

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
94.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3394694

Name:
4-Methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyShow More⌵

Mol. Formula:
C17H17F3N6O2S

M.W.:
426.42

11 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
94.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3394693

Name:
2-(1-((2,2-Difluorocyclopropyl)methyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-mShow More⌵

Mol. Formula:
C17H16F2N6O2S

M.W.:
406.42

6 unique targets

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
94.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3394692

Name:
2-(1-(Cyclopropylmethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridShow More⌵

Mol. Formula:
C17H18N6O2S

M.W.:
370.44