Compounds

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
81.99

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2332217

Name:
8-Ethynyl-N-methyl-6-(2-fluorophenyl)-4H-benzo-[f]-imidazo-[1,5-a]-[1,4]-diShow More⌵

Mol. Formula:
C21H15FN4O

M.W.:
358.38

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
59.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2332216

Name:
8-Ethynyl-N-methyl-6-(pyridine-2-yl)-4H-benzo-[f]-imidazo-[1,5-a]-[1,4]-diaShow More⌵

Mol. Formula:
C20H15N5O

M.W.:
341.37

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
72.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2332215

Name:
8-Ethynyl-N-methyl-6-phenyl-4H-benzo-[f]-imidazo-[1,5-a]-[1,4]-diazepine-3-Show More⌵

Mol. Formula:
C21H16N4O

M.W.:
340.39

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
59.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA522061

Name:
2-(5-benzyl-2-hydroxyphenyl)-6-methyl-4H-chromen-4-one

Mol. Formula:
C23H18O3

M.W.:
342.39

5 activity values

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA502159

Name:
2-(5-benzyl-2-hydroxyphenyl)-6-methylquinolin-4(1H)-one

Mol. Formula:
C23H19NO2

M.W.:
341.41

7 activity values

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
53.09

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA452728

Name:
2-(5-bromo-2-hydroxyphenyl)-6-methylquinolin-4(1H)-one

Mol. Formula:
C16H12BrNO2

M.W.:
330.18

7 activity values

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
53.09

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA204189

Name:
4-(2,2-diphenyl-1-ethyl)-5-(4-piperidyl)isothiazol-3-ol

Mol. Formula:
C22H24N2OS

M.W.:
364.51

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
45.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA442789

Name:
4-((1-bromo-2-naphthyl)methyl)-5-(4-piperidyl)isothiazol-3-ol

Mol. Formula:
C19H19BrN2OS

M.W.:
403.35

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
45.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA204017

Name:
4-(2-naphthylmethyl)-5-(4-piperidyl)isothiazol-3-ol

Mol. Formula:
C19H20N2OS

M.W.:
324.45

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
45.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA203718

Name:
4-benzyl-5-(4-piperidyl)isothiazol-3-ol

Mol. Formula:
C15H18N2OS

M.W.:
274.39

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
45.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA382791

Name:
5-(4-piperidyl)-4-propylisothiazol-3-ol

Mol. Formula:
C11H18N2OS

M.W.:
226.34

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
45.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA204110

Name:
4-Methyl-5-(4-piperidyl)isothiazol-3-ol

Mol. Formula:
C9H14N2OS

M.W.:
198.29