Compounds

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
47.56

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3594040

Name:
4-oxo-3-(4-(2-(o-tolyloxy)acetamido)phenyl)-4H-chromen-7-yl acetate

Mol. Formula:
C26H21NO6

M.W.:
443.46

3 activity values

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
94.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3594039

Name:
3-(4-(2-(2-methoxyphenoxy)acetamido)phenyl)-4-oxo-4H-chromen-7-yl acetate

Mol. Formula:
C26H21NO7

M.W.:
459.45

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
104.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3594038

Name:
3-(4-(2-(naphthalen-1-yloxy)acetamido)phenyl)-4-oxo-4H-chromen-7-yl acetate

Mol. Formula:
C29H21NO6

M.W.:
479.49

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
94.84

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3594037

Name:
4-oxo-3-(4-(2-phenoxyacetamido)phenyl)-4H-chromen-7-yl acetate

Mol. Formula:
C25H19NO6

M.W.:
429.43

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
94.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3594036

Name:
4-oxo-3-(4-(2-(m-tolyloxy)acetamido)phenyl)-4H-chromen-7-yl acetate

Mol. Formula:
C26H21NO6

M.W.:
443.46

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
94.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3594035

Name:
4-oxo-3-(4-(2-(p-tolyloxy)acetamido)phenyl)-4H-chromen-7-yl acetate

Mol. Formula:
C26H21NO6

M.W.:
443.46

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
94.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3594034

Name:
N-(4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenyl)-2-(o-tolyloxy)acetamide

Mol. Formula:
C24H19NO5

M.W.:
401.42

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
88.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3594033

Name:
N-(4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenyl)-2-(2-methoxyphenoxy)acetamide

Mol. Formula:
C24H19NO6

M.W.:
417.42

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
98.00

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3594032

Name:
N-(4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenyl)-2-(naphthalen-1-yloxy)acetamiShow More⌵

Mol. Formula:
C27H19NO5

M.W.:
437.45

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
88.77

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3594031

Name:
N-(4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenyl)-2-phenoxyacetamide

Mol. Formula:
C23H17NO5

M.W.:
387.39

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
88.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3594030

Name:
N-(4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenyl)-2-(m-tolyloxy)acetamide

Mol. Formula:
C24H19NO5

M.W.:
401.42

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
88.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3594029

Name:
N-(4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenyl)-2-(p-tolyloxy)acetamide

Mol. Formula:
C24H19NO5

M.W.:
401.42

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
88.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3217140

Name:
1-(4-(6-chloro-2-methoxyacridin-9-ylamino)phenyl)-3-(1H-pyrrol-1-yl)propan-Show More⌵

Mol. Formula:
C27H27Cl4N3O2

M.W.:
567.34

Type:
Small molecule

AlogP:
6.72

Polar Surface Area:
59.31

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2238402

Name:
4-Methyl-N-[4-(4-chloro-benzyloxy)-phenyl]-N-(toluene-4-sulfonyl)-benzenesuShow More⌵

Mol. Formula:
C27H24ClNO5S2

M.W.:
542.08

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2238401

Name:
4-Methyl-N-[4-(3-chloro-benzyloxy)-phenyl]-N-(toluene-4-sulfonyl)-benzenesuShow More⌵

Mol. Formula:
C27H24ClNO5S2

M.W.:
542.08

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2238400

Name:
4-Methyl-N-[4-(3-trifluoromethyl-benzyloxy)-phenyl]-N-(toluene-4-sulfonyl)-Show More⌵

Mol. Formula:
C28H24F3NO5S2

M.W.:
575.63

Type:
Small molecule

AlogP:
6.49

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2238399

Name:
N-[4-(3-Methoxy-benzyloxy)-phenyl]-4-methylbenzenesulfonamide

Mol. Formula:
C21H21NO4S

M.W.:
383.47

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2238398

Name:
N-[4-(4-Chloro-benzyloxy)-phenyl]-4-methylbenzenesulfonamide

Mol. Formula:
C20H18ClNO3S

M.W.:
387.89

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2238397

Name:
N-[4-(3-Chloro-benzyloxy)-phenyl]-4-methylbenzenesulfonamide

Mol. Formula:
C20H18ClNO3S

M.W.:
387.89