Compounds

ALA5286305

Name:
2-(3,5-dichloro-4-(5-hydroxy-4-methyl-1H-indol-1-y
Show More⌵

Mol. Formula:
C19H11Cl2N5O3

M.W.:
428.24

Type:
---

AlogP:
3.06

Polar Surface Area:
116.70

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5284849

Name:
N-(3,5-dichloro-4-(4-isopropyl-5-oxo-4,5-dihydro-1
Show More⌵

Mol. Formula:
C19H15Cl2N5O4

M.W.:
448.27

Type:
---

AlogP:
3.61

Polar Surface Area:
114.92

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5284123

Name:
2-(3,5-dichloro-4-(4-cyclopentyl-5-oxo-4,5-dihydro
Show More⌵

Mol. Formula:
C22H16Cl2N6O3

M.W.:
483.32

Type:
---

AlogP:
3.32

Polar Surface Area:
118.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5283585

Name:
2-(3,5-dichloro-4-(5-hydroxy-1H-indol-1-yl)phenyl)
Show More⌵

Mol. Formula:
C18H9Cl2N5O3

M.W.:
414.21

Type:
---

AlogP:
2.75

Polar Surface Area:
116.70

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5281631

Name:
2-(3,5-dichloro-4-(4-cyclobutyl-5-oxo-4,5-dihydro-
Show More⌵

Mol. Formula:
C21H14Cl2N6O3

M.W.:
469.29

Type:
---

AlogP:
2.93

Polar Surface Area:
118.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5281233

Name:
2-(3,5-dichloro-4-(6-hydroxy-1H-indol-1-yl)phenyl)
Show More⌵

Mol. Formula:
C18H9Cl2N5O3

M.W.:
414.21

Type:
---

AlogP:
2.75

Polar Surface Area:
116.70

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5281151

Name:
2-(3,5-dichloro-4-(4-cyclopropyl-5-oxo-4,5-dihydro
Show More⌵

Mol. Formula:
C20H12Cl2N6O3

M.W.:
455.26

Type:
---

AlogP:
2.54

Polar Surface Area:
118.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5277807

Name:
2-(3,5-dichloro-4-(5-oxo-4,5-dihydro-1H-pyrrolo[3,
Show More⌵

Mol. Formula:
C17H8Cl2N6O3

M.W.:
415.20

Type:
---

AlogP:
1.73

Polar Surface Area:
129.33

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5290997

Name:
2-(3,5-dichloro-4-(4-hydroxy-1H-indol-1-yl)phenyl)
Show More⌵

Mol. Formula:
C18H9Cl2N5O3

M.W.:
414.21

Type:
---

AlogP:
2.75

Polar Surface Area:
116.70

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5290804

Name:
2-(3,5-dichloro-4-(5-methoxy-1H-indol-1-yl)phenyl)
Show More⌵

Mol. Formula:
C19H11Cl2N5O3

M.W.:
428.24

Type:
---

AlogP:
3.05

Polar Surface Area:
105.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5274251

Name:
2-(3,5-dichloro-4-(4-ethyl-5-oxo-4,5-dihydro-1H-py
Show More⌵

Mol. Formula:
C19H12Cl2N6O3

M.W.:
443.25

Type:
---

AlogP:
2.22

Polar Surface Area:
118.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5271234

Name:
2-(3,5-dichloro-4-(5-oxo-4-(2,2,2-trifluoroethyl)-
Show More⌵

Mol. Formula:
C19H9Cl2F3N6O3

M.W.:
497.22

Type:
---

AlogP:
2.77

Polar Surface Area:
118.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5269734

Name:
2-(3,5-dichloro-4-(5-hydroxy-6-methyl-1H-indol-1-y
Show More⌵

Mol. Formula:
C19H11Cl2N5O3

M.W.:
428.24

Type:
---

AlogP:
3.06

Polar Surface Area:
116.70

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5269031

Name:
3-((3,5-dichloro-4-(4-isopropyl-5-oxo-4,5-dihydro-
Show More⌵

Mol. Formula:
C19H17Cl2N3O4

M.W.:
422.27

Type:
---

AlogP:
4.09

Polar Surface Area:
93.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5268293

Name:
2-(3,5-dichloro-4-(4-methyl-5-oxo-4,5-dihydro-1H-p
Show More⌵

Mol. Formula:
C18H10Cl2N6O3

M.W.:
429.22

Type:
---

AlogP:
1.74

Polar Surface Area:
118.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5267199

Name:
6-(3,5-dichloro-4-(4-isopropyl-5-oxo-4,5-dihydro-1
Show More⌵

Mol. Formula:
C20H17Cl2N5O3

M.W.:
446.29

Type:
---

AlogP:
3.13

Polar Surface Area:
94.68

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5266872

Name:
6-(3,5-dichloro-4-(4-isopropyl-5-oxo-4,5-dihydro-1
Show More⌵

Mol. Formula:
C19H15Cl2N5O3

M.W.:
432.27

Type:
---

AlogP:
3.12

Polar Surface Area:
105.54

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5209093

Name:
2-[(1-bromo-4-hydroxy-7-phenoxy-isoquinoline-3-car
Show More⌵

Cas Number:
808116-62-3

Mol. Formula:
C18H13BrN2O5

M.W.:
417.21

4 activity values

3 unique targets

Type:
---

AlogP:
3.31

Polar Surface Area:
108.75

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5207967

Name:
2-[[1-(cyclobutoxy)-4-hydroxy-7-phenoxy-isoquinoli
Show More⌵

Mol. Formula:
C22H20N2O6

M.W.:
408.41

3 activity values

2 unique targets

Type:
---

AlogP:
3.48

Polar Surface Area:
117.98

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5207720

Name:
2-[[4-hydroxy-1-methoxy-7-(4-phenoxyphenoxy)isoqui
Show More⌵

Mol. Formula:
C25H20N2O7

M.W.:
460.44

3 activity values

3 unique targets

Type:
---

AlogP:
4.35

Polar Surface Area:
127.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS