Compounds

ALA5267628

Name:
(2-(3-fluorophenyl)-4-hydroxythiazol-5-yl)(1,2-oxazepan-2-yl)methanone

Mol. Formula:
C15H15FN2O3S

M.W.:
322.36

Type:
---

AlogP:
3.21

Polar Surface Area:
62.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5267089

Name:
N1-(benzo[d]thiazol-2-yl)-N1-(4-((2-fluorobenzyl)oxy)-3-methoxybenzyl)ethanShow More⌵

Mol. Formula:
C24H24FN3O2S

M.W.:
437.54

Type:
---

AlogP:
4.99

Polar Surface Area:
60.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5266982

Name:
3-(2-aminoethyl)-1-((1R,2S,5R)-2-isopropyl-5-methylcyclohexane-1-carbonyl)-Show More⌵

Mol. Formula:
C21H31N3O3

M.W.:
373.50

Type:
---

AlogP:
3.12

Polar Surface Area:
79.25

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5266721

Name:
8,8-difluoro-3-(2-(4-(5-methyl-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridinShow More⌵

Mol. Formula:
C24H20F5N5O3

M.W.:
521.45

Type:
---

AlogP:
4.43

Polar Surface Area:
97.19

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5266190

Name:
1-(2-(3-fluorophenyl)-4-hydroxythiazol-5-yl)butan-1-one

Mol. Formula:
C13H12FNO2S

M.W.:
265.31

Type:
---

AlogP:
3.64

Polar Surface Area:
50.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5282352

Name:
2-(3-aminophenyl)-5-(2-ethyl-2H-tetrazol-5-yl)thiazol-4-ol

Mol. Formula:
C12H12N6OS

M.W.:
288.34

Type:
---

AlogP:
1.77

Polar Surface Area:
102.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5282295

Name:
5-(4-chlorophenyl)-3-(methylthio)-1H-pyrazole

Mol. Formula:
C10H9ClN2S

M.W.:
224.72

Type:
---

AlogP:
3.45

Polar Surface Area:
28.68

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5282082

Name:
1-(N-(4-fluoro-3-(trifluoromethyl)benzyl)-N-(3-methylbenzo[b]thiophen-2-yl)Show More⌵

Mol. Formula:
C23H22F4N2O4S2

M.W.:
530.57

Type:
---

AlogP:
5.42

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5281922

Name:
N-(3-methoxyphenyl)-2,4,6-trimethyl-3-nitrobenzenesulfonamide

Mol. Formula:
C16H18N2O5S

M.W.:
350.40

Type:
---

AlogP:
3.33

Polar Surface Area:
98.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5281532

Name:
2-(3-fluorophenyl)-4-hydroxy-N-methoxy-N-methylthiazole-5-carboxamide

Mol. Formula:
C12H11FN2O3S

M.W.:
282.30

Type:
---

AlogP:
2.29

Polar Surface Area:
62.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5281182

Name:
4-(5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)morpholine

Mol. Formula:
C18H17ClN4O

M.W.:
340.81

Type:
---

AlogP:
3.42

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5281065

Name:
ethyl 2-phenyl-4-(2,2,2-trifluoroacetamido)thiazole-5-carboxylate

Mol. Formula:
C14H11F3N2O3S

M.W.:
344.31

Type:
---

AlogP:
3.49

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5280999

Name:
ethyl 3'-fluoro-3-hydroxybiphenyl-4-carboxylate

Mol. Formula:
C15H13FO3

M.W.:
260.26

Type:
---

AlogP:
3.38

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5280897

Name:
1-(2-(3-fluorophenyl)-4-hydroxythiazol-5-yl)-2-methylpropan-1-one

Mol. Formula:
C13H12FNO2S

M.W.:
265.31

Type:
---

AlogP:
3.49

Polar Surface Area:
50.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5280890

Name:
N-(1-ethyl-5-fluoro-1H-benzo[d]imidazol-2-yl)-N-(4-(trifluoromethyl)benzyl)Show More⌵

Mol. Formula:
C23H19F4N3O2S

M.W.:
477.48

Type:
---

AlogP:
5.61

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5280621

Name:
5-(2-ethyl-2H-tetrazol-5-yl)-2-(2-methoxyphenyl)thiazol-4-ol

Mol. Formula:
C13H13N5O2S

M.W.:
303.35

Type:
---

AlogP:
2.20

Polar Surface Area:
85.95

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5279842

Name:
N-ethoxy-2-(3-fluorophenyl)-4-hydroxy-N-methylthiazole-5-carboxamide

Mol. Formula:
C13H13FN2O3S

M.W.:
296.32

Type:
---

AlogP:
2.68

Polar Surface Area:
62.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5279823

Name:
5-(2-ethyl-2H-tetrazol-5-yl)-2-(4-fluorophenyl)thiazol-4-ol

Mol. Formula:
C12H10FN5OS

M.W.:
291.31

Type:
---

AlogP:
2.33

Polar Surface Area:
76.72

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5279560

Name:
(4-hydroxy-2-(2-hydroxyphenyl)thiazol-5-yl)(morpholino)methanone

Mol. Formula:
C14H14N2O4S

M.W.:
306.34

Type:
---

AlogP:
2.39

Polar Surface Area:
82.89

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5279438

Name:
ethyl 2-phenylthiazole-5-carboxylate

Mol. Formula:
C12H11NO2S

M.W.:
233.29

Type:
---

AlogP:
2.99

Polar Surface Area:
39.19

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS