Compounds

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
67.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3618300

Name:
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-4H-py
Show More⌵

Mol. Formula:
C21H20N2O3S

M.W.:
380.47

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
62.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3618299

Name:
Ethyl 4-[4-(dimethylamino)phenyl]-2-methyl-4H-pyri
Show More⌵

Mol. Formula:
C22H23N3OS

M.W.:
377.51

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
35.91

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3618298

Name:
Ethyl 2-methyl-4-(4-nitrophenyl)-4H-pyrimido[2,1-b
Show More⌵

Mol. Formula:
C20H17N3O3S

M.W.:
379.44

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
75.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3618297

Name:
Ethyl 2-methyl-4-(3-nitrophenyl)-4H-pyrimido[2,1-b
Show More⌵

Mol. Formula:
C20H17N3O3S

M.W.:
379.44

31 activity values

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
75.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3618296

Name:
Ethyl 4-(4-methoxyphenyl)-2-methyl-4H-pyrimido[2,1
Show More⌵

Mol. Formula:
C21H20N2O2S

M.W.:
364.47

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
41.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3618295

Name:
Ethyl 4-(4-hydroxyphenyl)-2-methyl-4H-pyrimido[2,1
Show More⌵

Mol. Formula:
C20H18N2O2S

M.W.:
350.44

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
52.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3618294

Name:
Ethyl 4-(2-hydroxyphenyl)-2-methyl-4H-pyrimido[2,1
Show More⌵

Mol. Formula:
C20H18N2O2S

M.W.:
350.44

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
52.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3618293

Name:
Ethyl 4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-
Show More⌵

Mol. Formula:
C20H17FN2OS

M.W.:
352.43

29 activity values

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
32.67

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3618292

Name:
Ethyl 4-(4-chlorophenyl)-2-methyl-4H-pyrimido[2,1-
Show More⌵

Mol. Formula:
C20H17ClN2OS

M.W.:
368.89

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
32.67

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3618291

Name:
Ethyl 4-(2-chlorophenyl)-2-methyl-4H-pyrimido[2,1-
Show More⌵

Mol. Formula:
C20H17ClN2OS

M.W.:
368.89

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
32.67

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3618290

Name:
Methyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-4H-p
Show More⌵

Mol. Formula:
C20H18N2O3S

M.W.:
366.44

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
62.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3618289

Name:
Methyl 4-[4-(dimethylamino)phenyl]-2-methyl-4H-pyr
Show More⌵

Mol. Formula:
C21H21N3OS

M.W.:
363.49

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
35.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3618288

Name:
Methyl 2-methyl-4-(4-nitrophenyl)-4H-pyrimido[2,1-
Show More⌵

Mol. Formula:
C19H15N3O3S

M.W.:
365.41

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
75.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3618287

Name:
Methyl 2-methyl-4-(3-nitrophenyl)-4H-pyrimido[2,1-
Show More⌵

Mol. Formula:
C19H15N3O3S

M.W.:
365.41

29 activity values

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
75.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3618286

Name:
Methyl 4-(4-methoxyphenyl)-2-methyl-4H-pyrimido[2,
Show More⌵

Mol. Formula:
C20H18N2O2S

M.W.:
350.44

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
41.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3618285

Name:
Methyl 4-(4-hydroxyphenyl)-2-methyl-4H-pyrimido[2,
Show More⌵

Mol. Formula:
C19H16N2O2S

M.W.:
336.42

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
52.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3618284

Name:
Methyl 4-(2-hydroxyphenyl)-2-methyl-4H-pyrimido[2,
Show More⌵

Mol. Formula:
C19H16N2O2S

M.W.:
336.42

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
52.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3618283

Name:
Methyl 4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1
Show More⌵

Mol. Formula:
C19H15FN2OS

M.W.:
338.41

31 activity values

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
32.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3618282

Name:
Methyl 4-(4-chlorophenyl)-2-methyl-4H-pyrimido[2,1
Show More⌵

Mol. Formula:
C19H15ClN2OS

M.W.:
354.86