Compounds

Type:
---

AlogP:
4.11

Polar Surface Area:
84.08

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5207661

Name:
Ethyl-5-((1H-pyrrol-2-yl)methylene)-2-((4-nitrophenyl)amino)-4-oxo-4,5-dihyShow More⌵

Mol. Formula:
C18H15N3O5S

M.W.:
385.40

6 activity values

Type:
---

AlogP:
3.47

Polar Surface Area:
114.33

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5206772

Name:
Ethyl (Z)-5-((1H-pyrrol-3-yl)methylene)-4-oxo-2-(phenylamino)-4,5-dihydrothShow More⌵

Mol. Formula:
C18H16N2O3S

M.W.:
340.40

Type:
---

AlogP:
3.56

Polar Surface Area:
71.19

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5206377

Name:
Ethyl (Z)-5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-(phenylamino)-4,5-dihydrothShow More⌵

Mol. Formula:
C18H16N2O3S

M.W.:
340.40

8 activity values

Type:
---

AlogP:
3.56

Polar Surface Area:
71.19

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5205054

Name:
Ethyl (Z)-5-(3-hydroxy-4-nitrobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrShow More⌵

Mol. Formula:
C20H16N2O6S

M.W.:
412.42

Type:
---

AlogP:
3.84

Polar Surface Area:
118.77

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5204320

Name:
Ethyl-5-((1H-pyrrol-2-yl)methylene)-2-((4-methoxyphenyl)amino)-4-oxo-4,5-diShow More⌵

Mol. Formula:
C19H18N2O4S

M.W.:
370.43

Type:
---

AlogP:
3.57

Polar Surface Area:
80.42

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5204244

Name:
Ethyl (Z)-5-((4-(ethoxycarbonyl)-3-oxo-5-(phenylamino)thiophen-2(3H)-ylidenShow More⌵

Mol. Formula:
C21H20N2O5S

M.W.:
412.47

8 activity values

Type:
---

AlogP:
3.74

Polar Surface Area:
97.49

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5203149

Name:
Ethyl-5-((1H-pyrrol-2-yl)methylene)-2-((4-fluorophenyl)amino)-4-oxo-4,5-dihShow More⌵

Mol. Formula:
C18H15FN2O3S

M.W.:
358.39

6 activity values

Type:
---

AlogP:
3.70

Polar Surface Area:
71.19

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5202273

Name:
Ethyl-5-((1H-pyrrol-2-yl)methylene)-2-((4-ethylphenyl)amino)-4-oxo-4,5-dihyShow More⌵

Mol. Formula:
C20H20N2O3S

M.W.:
368.46

Type:
---

AlogP:
4.12

Polar Surface Area:
71.19

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5202193

Name:
Ethyl-5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-(p-tolylamino)-4,5-dihydrothiopShow More⌵

Mol. Formula:
C19H18N2O3S

M.W.:
354.43

Type:
---

AlogP:
3.87

Polar Surface Area:
71.19

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5201651

Name:
Ethyl-5-((1H-pyrrol-2-yl)methylene)-4-oxo-2-((3-(trifluoromethyl)phenyl)amiShow More⌵

Mol. Formula:
C19H15F3N2O3S

M.W.:
408.40

Type:
---

AlogP:
4.58

Polar Surface Area:
71.19

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5201296

Name:
Ethyl-5-((1H-pyrrol-2-yl)methylene)-2-((3-methoxyphenyl)amino)-4-oxo-4,5-diShow More⌵

Mol. Formula:
C19H18N2O4S

M.W.:
370.43

Type:
---

AlogP:
3.57

Polar Surface Area:
80.42

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5200810

Name:
4-(4,4-dimethyl-7-(4-methylpiperazin-1-yl)-8-nitrochromeno[4,3-c]pyrazol-1(Show More⌵

Mol. Formula:
C24H25N5O5

M.W.:
463.49

3 unique targets

Type:
---

AlogP:
3.53

Polar Surface Area:
113.97

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5199290

Name:
ethyl 5-(1-methylpiperidin-4-ylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothioShow More⌵

Mol. Formula:
C19H22N2O3S

M.W.:
358.46

Type:
---

AlogP:
3.17

Polar Surface Area:
58.64

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5198136

Name:
Ethyl (Z)-5-(4-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiopheShow More⌵

Mol. Formula:
C21H19NO4S

M.W.:
381.45

Type:
---

AlogP:
4.24

Polar Surface Area:
64.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5197004

Name:
3-((3aS,4R,9bR)-5-acetyl-6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinShow More⌵

Mol. Formula:
C23H23NO4

M.W.:
377.44

1 activity values

1 unique targets

Type:
---

AlogP:
4.55

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5195225

Name:
Ethyl (Z)-5-((1H-pyrrolo[3,2-b]pyridin-2-yl)methylene)-4-oxo-2-(phenylaminoShow More⌵

Mol. Formula:
C21H17N3O3S

M.W.:
391.45

10 activity values

Type:
---

AlogP:
4.11

Polar Surface Area:
84.08

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5191608

Name:
Ethyl-5-((1H-pyrrol-2-yl)methylene)-2-((3,4-dimethoxyphenyl)amino)-4-oxo-4,Show More⌵

Mol. Formula:
C20H20N2O5S

M.W.:
400.46

Type:
---

AlogP:
3.58

Polar Surface Area:
89.65

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5191254

Name:
5-((3aS,9bR)-6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-1Show More⌵

Mol. Formula:
C19H20N2O3

M.W.:
324.38

1 activity values

1 unique targets

Type:
---

AlogP:
3.94

Polar Surface Area:
74.35

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5190660

Name:
(Z)-3-((4-(ethoxycarbonyl)-3-oxo-5-(phenylamino)thiophen-2(3H)-ylidene)methShow More⌵

Mol. Formula:
C21H17NO5S

M.W.:
395.44