Compounds

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
61.96

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3121558

Name:
2,2,7,7-Tetramethyl-9-(6-bromo-1H-indol-3-yl)-3,4,6,7-tetrahydroacridine-1,Show More⌵

Mol. Formula:
C25H27BrN2O2

M.W.:
467.41

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
61.96

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3121557

Name:
9-(6-Bromo-1H-indol-3-yl)-3,4,6,7-tetrahydroacridine-1,8-(2H,5H,9H,10H)-dioShow More⌵

Mol. Formula:
C21H19BrN2O2

M.W.:
411.30

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
61.96

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3121556

Name:
3,3,6,6-Tetramethyl-9-(5-bromo-1H-indol-3-yl)-3,4,6,7-tetrahydroacridine-1,Show More⌵

Mol. Formula:
C25H27BrN2O2

M.W.:
467.41

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
61.96

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3121555

Name:
2,2,7,7-Tetramethyl-9-(5-bromo-1H-indol-3-yl)-3,4,6,7-tetrahydroacridine-1,Show More⌵

Mol. Formula:
C25H27BrN2O2

M.W.:
467.41

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
61.96

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3121554

Name:
9-(5-Bromo-1H-indol-3-yl)-3,4,6,7-tetrahydroacridine-1,8-(2H,5H,9H,10H)-dioShow More⌵

Mol. Formula:
C21H19BrN2O2

M.W.:
411.30

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
61.96

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3121553

Name:
3,3,6,6-Tetramethyl-9-(1-methyl-1H-indol-3-yl)-3,4,6,7-tetrahydroacridine-1Show More⌵

Mol. Formula:
C26H30N2O2

M.W.:
402.54

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
51.10

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3121552

Name:
2,2,7,7-Tetramethyl-9-(1-methyl-1H-indol-3-yl)-3,4,6,7-tetrahydroacridine-1Show More⌵

Mol. Formula:
C26H30N2O2

M.W.:
402.54

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
51.10

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3121551

Name:
9-(1-Methyl-1H-indol-3-yl)-3,4,6,7-tetrahydroacridine-1,8-(2H,5H,9H,10H)-diShow More⌵

Mol. Formula:
C22H22N2O2

M.W.:
346.43

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
51.10

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3121550

Name:
3,3,6,6-Tetramethyl-9-(1-methyl-1H-indol-2-yl)-3,4,6,7-tetrahydroacridine-1Show More⌵

Mol. Formula:
C26H30N2O2

M.W.:
402.54

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
51.10

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3121549

Name:
2,2,7,7-Tetramethyl-9-(1-methyl-1H-indol-2-yl)-3,4,6,7-tetrahydroacridine-1Show More⌵

Mol. Formula:
C26H30N2O2

M.W.:
402.54

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
51.10

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3121548

Name:
9-(1-Methyl-1H-indol-2-yl)-3,4,6,7-tetrahydroacridine-1,8-(2H,5H,9H,10H)-diShow More⌵

Mol. Formula:
C22H22N2O2

M.W.:
346.43

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
51.10

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA523555

Name:
Ethyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroqShow More⌵

Mol. Formula:
C25H23Cl2NO3

M.W.:
456.37

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA493202

Name:
Methyl 4-(2,6-dichlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoShow More⌵

Mol. Formula:
C19H19Cl2NO3

M.W.:
380.27

6 activity values

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA521863

Name:
Ethyl 4-(2,3-dichlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolShow More⌵

Mol. Formula:
C20H21Cl2NO3

M.W.:
394.30

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA495045

Name:
Ethyl 4-(2,6-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroqShow More⌵

Mol. Formula:
C25H23Cl2NO3

M.W.:
456.37

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA495044

Name:
Methyl 4-(2,6-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroShow More⌵

Mol. Formula:
C24H21Cl2NO3

M.W.:
442.34

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA494369

Name:
Ethyl 4-(2,5-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroqShow More⌵

Mol. Formula:
C25H23Cl2NO3

M.W.:
456.37

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA495041

Name:
Methyl 4-(2,5-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroShow More⌵

Mol. Formula:
C24H21Cl2NO3

M.W.:
442.34

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA495040

Name:
Methyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroShow More⌵

Mol. Formula:
C24H21Cl2NO3

M.W.:
442.34