Compounds

ALA5272320

Name:
5-allyl-2-((1-(3,4-dimethoxyphenyl)-1-(((1R,2S,5R)-2-isopropyl-5-methylcyclShow More⌵

Mol. Formula:
C32H46O6

M.W.:
526.71

Type:
---

AlogP:
7.44

Polar Surface Area:
55.38

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5272167

Name:
(Z)-N-(1-ethyl-3-(3-fluoro-4-(trifluoromethyl)benzyl)-5-(trifluoromethyl)-1Show More⌵

Mol. Formula:
C24H18F7N3O2S

M.W.:
545.48

Type:
---

AlogP:
5.98

Polar Surface Area:
56.36

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271998

Name:
(2-(3-Fluorophenyl)-5-hydroxy-1,3-thiazol-4-yl)(1,2-oxazinan-2-yl)methanone

Mol. Formula:
C14H13FN2O3S

M.W.:
308.33

Type:
---

AlogP:
2.82

Polar Surface Area:
62.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5271941

Name:
ethyl 2-(4-fluorophenyl)-4-hydroxythiazole-5-carboxylate

Mol. Formula:
C12H10FNO3S

M.W.:
267.28

Type:
---

AlogP:
2.83

Polar Surface Area:
59.42

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5271325

Name:
(1R,2S,5R)-2-isopropyl-5-methyl-N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)cyShow More⌵

Mol. Formula:
C21H28N4O3S

M.W.:
416.55

Type:
---

AlogP:
3.92

Polar Surface Area:
101.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5271247

Name:
5-(2-ethyl-2H-tetrazol-5-yl)-2-o-tolylthiazol-4-ol

Mol. Formula:
C13H13N5OS

M.W.:
287.35

Type:
---

AlogP:
2.50

Polar Surface Area:
76.72

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5270507

Name:
5-(2-ethyl-2H-tetrazol-5-yl)-2-(3-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

ALA5270316

Name:
methyl (3S)-2-(benzylamino)-3-(((benzyloxy)carbonyl)amino)-4-phenylbutanoatShow More⌵

Mol. Formula:
C26H28N2O4

M.W.:
432.52

Type:
---

AlogP:
3.86

Polar Surface Area:
76.66

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5270159

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

Mol. Formula:
C12H11N5O2S

M.W.:
289.32

Type:
---

AlogP:
1.89

Polar Surface Area:
96.95

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5269673

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

Mol. Formula:
C12H10FNO2S

M.W.:
251.28

Type:
---

AlogP:
3.25

Polar Surface Area:
50.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5269570

Name:
5-(2-ethyl-2H-tetrazol-5-yl)-2-m-tolylthiazol-4-ol

Mol. Formula:
C13H13N5OS

M.W.:
287.35

Type:
---

AlogP:
2.50

Polar Surface Area:
76.72

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5269450

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

Mol. Formula:
C14H14FNO2S

M.W.:
279.34

Type:
---

AlogP:
3.88

Polar Surface Area:
50.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5269402

Name:
Resiniferatoxin

Mol. Formula:
C37H40O9

M.W.:
628.72

Type:
---

AlogP:
4.74

Polar Surface Area:
120.75

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5268891

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

Mol. Formula:
C12H11N5O2S

M.W.:
289.32

Type:
---

AlogP:
1.89

Polar Surface Area:
96.95

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5268544

Name:
2-(2,6-dichlorophenyl)-5-(2-ethyl-2H-tetrazol-5-yl)thiazol-4-ol

Mol. Formula:
C12H9Cl2N5OS

M.W.:
342.21

Type:
---

AlogP:
3.50

Polar Surface Area:
76.72

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5268431

Name:
ethyl 4-hydroxy-2-p-tolylthiazole-5-carboxylate

Mol. Formula:
C13H13NO3S

M.W.:
263.32

Type:
---

AlogP:
3.00

Polar Surface Area:
59.42

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5268409

Name:
2-(3-fluorophenyl)-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiazol-4-ol

Mol. Formula:
C12H8FN3O2S

M.W.:
277.28

Type:
---

AlogP:
3.01

Polar Surface Area:
72.04

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5268297

Name:
2-(3-fluorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiazol-4-ol

Mol. Formula:
C12H8FN3O2S

M.W.:
277.28

Type:
---

AlogP:
3.01

Polar Surface Area:
72.04

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

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