Compounds

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
33.29

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2272945

Name:
6-(4''-Chlorophenyl)-4-(4'-methoxyphenyl)-3,4-dihydropyrimidine-2(1H)-thionShow More⌵

Mol. Formula:
C17H15ClN2OS

M.W.:
330.84

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
33.29

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2272944

Name:
4-(4'-Methoxyphenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C17H16N2OS

M.W.:
296.40

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
33.29

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2272943

Name:
4-(2'-Chlorophenyl)-6-(4''-methoxyphenyl)-3,4-dihydropyrimidine-2(1H)-thionShow More⌵

Mol. Formula:
C17H15ClN2OS

M.W.:
330.84

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
33.29

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2272942

Name:
4-(2'-Chlorophenyl)-6-p-tolyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C17H15ClN2S

M.W.:
314.84

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2272941

Name:
4-(2'-Chlorophenyl)-6-(4''-chlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C16H12Cl2N2S

M.W.:
335.26

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2272940

Name:
4-(2'-Chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C16H13ClN2S

M.W.:
300.81

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2272939

Name:
4-(4'-Chlorophenyl)-6-(4''-methoxyphenyl)-3,4-dihydropyrimidine-2(1H)-thionShow More⌵

Mol. Formula:
C17H15ClN2OS

M.W.:
330.84

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
33.29

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2272938

Name:
4-(4'-Chlorophenyl)-6-p-tolyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C17H15ClN2S

M.W.:
314.84

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2272937

Name:
4,6-Bis(4'-chlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C16H12Cl2N2S

M.W.:
335.26

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2272936

Name:
4-(4'-Chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C16H13ClN2S

M.W.:
300.81

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2272935

Name:
4-(4'-Fluorophenyl)-6-(4''-methoxyphenyl)-3,4-dihydropyrimidine-2(1H)-thionShow More⌵

Mol. Formula:
C17H15FN2OS

M.W.:
314.39

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
33.29

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2272934

Name:
4-(4'-Fluorophenyl)-6-p-tolyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C17H15FN2S

M.W.:
298.39

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2272933

Name:
6-(4''-Chlorophenyl)-4-(4'-fluorophenyl)-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C16H12ClFN2S

M.W.:
318.80

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2272932

Name:
4-(4'-Fluorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C16H13FN2S

M.W.:
284.36

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2272931

Name:
6-(4''-Methoxyphenyl)-4-phenyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C17H16N2OS

M.W.:
296.40

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
33.29

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2272930

Name:
4-Phenyl-6-p-tolyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C17H16N2S

M.W.:
280.40

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2272929

Name:
6-(4''-Chlorophenyl)-4-phenyl-3,4-dihydropyrimidine-2(1H)-thione

Mol. Formula:
C16H13ClN2S

M.W.:
300.81

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2272004

Name:
5-(4'-Chlorophenyl)-3-phenylisoxazole

Mol. Formula:
C15H10ClNO

M.W.:
255.70