Compounds

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
55.73

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3937487

Name:
2-phenylnaphtho[2,3-d]oxazole-4,9(3aH,9aH)-dione

Mol. Formula:
C17H11NO3

M.W.:
277.28

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
55.73

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3356522

Name:
N-(4-(1H-1,2,3-triazol-1-yl)benzyl-alpha,alpha-d2)-5-methyl-2-(2-isopropyl(Show More⌵

Mol. Formula:
C23H24N6

M.W.:
393.54

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3356521

Name:
N-(4-(1H-1,2,3-triazol-1-yl)benzyl-alpha,alpha-d2)-5-methyl-2-(2-isopropylpShow More⌵

Mol. Formula:
C23H24N6

M.W.:
386.50

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3356520

Name:
N-(2-(4-(1H-1,2,3-triazol-1-yl)phenyl)propan-2-yl)-2-(2-isopropyl(d7)phenylShow More⌵

Mol. Formula:
C25H28N6

M.W.:
419.58

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3356519

Name:
N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-5-methyl-2-(2-isopropyl(d7)phenyl)pyrimShow More⌵

Mol. Formula:
C23H24N6

M.W.:
391.53

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3356518

Name:
N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-5-methyl-2-(2-isopropyl(d6)phenyl)pyrimShow More⌵

Mol. Formula:
C23H24N6

M.W.:
390.52

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3356517

Name:
N-(2-(4-(1H-1,2,3-triazol-1-yl)phenyl)propan-2-yl)-2-(2-isopropylphenyl)-5-Show More⌵

Mol. Formula:
C25H28N6

M.W.:
412.54

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3356516

Name:
N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-5-methyl-2-(2-(oxetan-3-yl)phenyl)pyrimShow More⌵

Mol. Formula:
C23H22N6O

M.W.:
398.47

4 activity values

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
77.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3356515

Name:
N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-cyclobutylphenyl)-5-methylpyrimidiShow More⌵

Mol. Formula:
C24H24N6

M.W.:
396.50

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3356514

Name:
N-(4-(1H-imidazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin-4-amShow More⌵

Mol. Formula:
C24H25N5

M.W.:
383.50

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3356113

Name:
2-morpholino-N-(4-(pyridin-3-yl)benzyl)quinazolin-4-amine

Mol. Formula:
C24H23N5O

M.W.:
397.48

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
63.17

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3356112

Name:
2-(2-(trifluoromethyl)phenyl)-N-(4-(2-(trifluoromethyl)pyridin-4-yl)benzyl)Show More⌵

Mol. Formula:
C28H18F6N4

M.W.:
524.47

Type:
Small molecule

AlogP:
8.01

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3356111

Name:
N-(4-(pyridin-4-yl)benzyl)-2-(2-(trifluoromethyl)phenyl)quinazolin-4-amine

Mol. Formula:
C27H19F3N4

M.W.:
456.47

Type:
Small molecule

AlogP:
6.99

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3356110

Name:
N-((3',4'-dichlorobiphenyl-4-yl)methyl)-2-(2-(trifluoromethyl)phenyl)quinazShow More⌵

Mol. Formula:
C28H18Cl2F3N3

M.W.:
524.37

Type:
Small molecule

AlogP:
8.90

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3356109

Name:
N-((3'-chlorobiphenyl-4-yl)methyl)-2-(2-(trifluoromethyl)phenyl)quinazolin-Show More⌵

Mol. Formula:
C28H19ClF3N3

M.W.:
489.93

Type:
Small molecule

AlogP:
8.25

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3356108

Name:
N-((4'-chlorobiphenyl-4-yl)methyl)-2-(2-(trifluoromethyl)phenyl)quinazolin-Show More⌵

Mol. Formula:
C28H19ClF3N3

M.W.:
489.93

Type:
Small molecule

AlogP:
8.25

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3356107

Name:
N-(biphenyl-4-ylmethyl)-2-(2-(trifluoromethyl)phenyl)quinazolin-4-amine

Mol. Formula:
C28H20F3N3

M.W.:
455.48

Type:
Small molecule

AlogP:
7.59

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3356106

Name:
4-((2-(2-(trifluoromethyl)phenyl)quinazolin-4-ylamino)methyl)benzonitrile

Mol. Formula:
C23H15F3N4

M.W.:
404.40

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
61.60

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3356105

Name:
N-(3,4-dichlorobenzyl)-2-(2-(trifluoromethyl)phenyl)quinazolin-4-amine

Mol. Formula:
C22H14Cl2F3N3

M.W.:
448.28