Compounds

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
85.34

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4293468

Name:
Methyl 2-amino-6-bromo-4-(2-(4-bromophenyl)-2-oxoethyl)-4H-chromene-3-carboShow More⌵

Mol. Formula:
C19H15Br2NO4

M.W.:
481.14

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
78.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4292415

Name:
2-Amino-6-bromo-8-methoxy-4-(2-oxo-2-phenylethyl)-4H-chromene-3-carbonitrilShow More⌵

Mol. Formula:
C19H15BrN2O3

M.W.:
399.24

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
85.34

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4289734

Name:
Methyl 2-amino-6-bromo-4-(2-(4-chlorophenyl)-2-oxoethyl)-8-methoxy-4H-chromShow More⌵

Mol. Formula:
C20H17BrClNO5

M.W.:
466.71

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
87.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4288661

Name:
2-Amino-6,8-difluoro-4-(2-oxo-2-phenylethyl)-4H-chromene-3-carbonitrile

Mol. Formula:
C18H12F2N2O2

M.W.:
326.30

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
76.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4288543

Name:
3-(5-bromo-2-hydroxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one

Mol. Formula:
C16H13BrO3

M.W.:
333.18

24 activity values

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4288267

Name:
2-Amino-6-bromo-4-(2-(4-bromophenyl)-2-oxoethyl)-4H-chromene-3-carbonitrile

Mol. Formula:
C18H12Br2N2O2

M.W.:
448.11

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
76.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4287063

Name:
2-Amino-6-bromo-8-methoxy-4-(2-(3-methoxyphenyl)-2-oxoethyl)-4H-chromene-3-Show More⌵

Mol. Formula:
C20H17BrN2O4

M.W.:
429.27

29 activity values

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
94.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4286616

Name:
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one

Mol. Formula:
C16H13BrO3

M.W.:
333.18

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4284851

Name:
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-(p-tolyl)prop-2-en-1-one

Mol. Formula:
C17H15BrO3

M.W.:
347.21

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4283805

Name:
3-(5-bromo-2-hydroxyphenyl)-1-(p-tolyl)prop-2-en-1-one

Mol. Formula:
C16H13BrO2

M.W.:
317.18

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4283259

Name:
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one

Mol. Formula:
C17H15BrO4

M.W.:
363.21

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4281455

Name:
2-Amino-6-bromo-4-(2-(3-methoxyphenyl)-2-oxoethyl)-4H-chromene-3-carbonitriShow More⌵

Mol. Formula:
C19H15BrN2O3

M.W.:
399.24

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
85.34

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4280645

Name:
3-(3,5-difluoro-2-hydroxyphenyl)-1-phenylprop-2-en-1-one

Mol. Formula:
C15H10F2O2

M.W.:
260.24

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4280344

Name:
3-(5-bromo-2-hydroxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one

Mol. Formula:
C15H10Br2O2

M.W.:
382.05

22 activity values

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4278703

Name:
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one

Mol. Formula:
C16H12BrClO3

M.W.:
367.63

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4278418

Name:
2-Amino-6-bromo-4-(2-oxo-2-(p-tolyl)ethyl)-4H-chromene-3-carbonitrile

Mol. Formula:
C19H15BrN2O2

M.W.:
383.25

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
76.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4278002

Name:
2-Amino-6-chloro-4-(2-oxo-2-(p-tolyl)ethyl)-4H-chromene-3-carbonitrile

Mol. Formula:
C19H15ClN2O2

M.W.:
338.79

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
76.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4276920

Name:
3-(5-chloro-2-hydroxyphenyl)-1-(p-tolyl)prop-2-en-1-one

Mol. Formula:
C16H13ClO2

M.W.:
272.73

22 activity values