Compounds

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
51.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3273933

Name:
2-(biphenyl-4-yl)-6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)tetrahydro-2Show More⌵

Mol. Formula:
C24H32N2O3

M.W.:
396.53

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
45.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3273932

Name:
2-(biphenyl-4-yl)-6-methoxy-2-methyl-5-(methylamino)tetrahydro-2H-pyran-3-oShow More⌵

Mol. Formula:
C20H25NO3

M.W.:
327.42

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
50.72

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3273931

Name:
2-(biphenyl-4-yl)-5-(dimethylamino)-6-methoxy-2-methyltetrahydro-2H-pyran-3Show More⌵

Mol. Formula:
C21H27NO3

M.W.:
341.45

30 activity values

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3273930

Name:
2-(biphenyl-4-yl)-6-methoxy-2-methyl-5-morpholinodihydro-2H-pyran-3(4H)-one

Mol. Formula:
C23H27NO4

M.W.:
381.47

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3273929

Name:
2-(biphenyl-4-yl)-6-methoxy-2-methyl-5-(4-methylpiperazin-1-yl)dihydro-2H-pShow More⌵

Mol. Formula:
C24H30N2O3

M.W.:
394.52

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
42.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3273928

Name:
2-(biphenyl-4-yl)-6-methoxy-2-methyl-5-(methylamino)dihydro-2H-pyran-3(4H)-Show More⌵

Mol. Formula:
C20H23NO3

M.W.:
325.41

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
47.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA3273927

Name:
2-(biphenyl-4-yl)-5-(dimethylamino)-6-methoxy-2-methyldihydro-2H-pyran-3(4HShow More⌵

Mol. Formula:
C21H25NO3

M.W.:
339.44

30 activity values

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3273926

Name:
6-(biphenyl-4-yl)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl dimethylcarbamatShow More⌵

Mol. Formula:
C21H21NO4

M.W.:
351.40

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
55.84

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3273925

Name:
6-(biphenyl-4-yl)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl methylcarbamate

Mol. Formula:
C20H19NO4

M.W.:
337.38

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3273924

Name:
2-(biphenyl-4-yl)-6-methoxy-2-methyl-2H-pyran-3(6H)-one

Mol. Formula:
C19H18O3

M.W.:
294.35

30 activity values

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2282138

Name:
ethyl 2-(3-(1,3-dioxoisoindolin-2-ylamino)-2-oxo-4-styrylazetidin-1-yl)-3-pShow More⌵

Mol. Formula:
C30H27N3O5

M.W.:
509.56

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
96.02

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2282137

Name:
ethyl 2-(3-(1,3-dioxoisoindolin-2-ylamino)-2-formyl-4-oxoazetidin-1-yl)-3-pShow More⌵

Mol. Formula:
C23H21N3O6

M.W.:
435.44

Type:
Small molecule

AlogP:
0.74

Polar Surface Area:
113.09

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2282136

Name:
ethyl 2-(3-(1,3-dioxoisoindolin-2-ylamino)-2-(hydroxymethyl)-4-oxoazetidin-Show More⌵

Mol. Formula:
C23H23N3O6

M.W.:
437.45

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
116.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2282135

Name:
ethyl 6-(1,3-dioxoisoindolin-2-ylamino)-7-oxo-3-phenyl-1-azabicyclo[3.2.0]hShow More⌵

Mol. Formula:
C23H21N3O5

M.W.:
419.44

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
96.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2282134

Name:
ethyl 2-(3-benzamido-2-oxo-4-styrylazetidin-1-yl)-3-phenylpropanoate

Mol. Formula:
C29H28N2O4

M.W.:
468.55

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2282133

Name:
ethyl 2-(2-oxo-3-(2-phenylacetamido)-4-styrylazetidin-1-yl)-3-phenylpropanoShow More⌵

Mol. Formula:
C30H30N2O4

M.W.:
482.58

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2282132

Name:
ethyl 2-(2-oxo-3-(2-phenoxyacetamido)-4-styrylazetidin-1-yl)-3-phenylpropanShow More⌵

Mol. Formula:
C30H30N2O5

M.W.:
498.58

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
84.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2282131

Name:
ethyl 2-(3-cinnamamido-2-oxo-4-styrylazetidin-1-yl)-3-phenylpropanoate

Mol. Formula:
C31H30N2O4

M.W.:
494.59

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2282130

Name:
ethyl 6-benzamido-7-oxo-3-phenyl-1-azabicyclo[3.2.0]heptane-2-carboxylate

Mol. Formula:
C22H22N2O4

M.W.:
378.43