Compounds

ALA5272216

Name:
[5-(4-Chlorophenyl)-2-methyl-1-p-tolyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C20H21ClN2

M.W.:
324.86

Type:
---

AlogP:
5.13

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5268695

Name:
[5-(2-Chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C19H19ClN2

M.W.:
310.83

Type:
---

AlogP:
4.83

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5268657

Name:
[5-(2-Fluorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C19H19FN2

M.W.:
294.37

Type:
---

AlogP:
4.31

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5268595

Name:
[5-(4-Chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C19H19ClN2

M.W.:
310.83

Type:
---

AlogP:
4.83

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5274952

Name:
[5-(2-Chlorophenyl)-2-methyl-1-p-tolyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C20H21ClN2

M.W.:
324.86

Type:
---

AlogP:
5.13

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5272733

Name:
[5-(2,4-dichlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C19H18Cl2N2

M.W.:
345.27

Type:
---

AlogP:
5.48

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5286365

Name:
[1-(4-Chlorophenyl)-5-(2-Fluorophenyl)-2-methyl-1H-pyrrol-3ylmethyl]methylaShow More⌵

Mol. Formula:
C19H18ClFN2

M.W.:
328.82

Type:
---

AlogP:
4.96

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5285692

Name:
[5-(2,4-Dichlorophenyl)-2-methyl-1-p-tolyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C20H20Cl2N2

M.W.:
359.30

Type:
---

AlogP:
5.79

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5283616

Name:
1-[5-(2-Fluorophenyl)-2-methyl-1H-p-tolyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C20H21FN2

M.W.:
308.40

Type:
---

AlogP:
4.62

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5289584

Name:
[1-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-2-methyl-1H-pyrrol-3ylmethyl]metShow More⌵

Mol. Formula:
C19H17Cl3N2

M.W.:
379.72

Type:
---

AlogP:
6.13

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5288919

Name:
[1,5-Bis(4-Chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3ylmethyl]methylamine

Mol. Formula:
C19H18Cl2N2

M.W.:
345.27

Type:
---

AlogP:
5.48

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5288526

Name:
[1-(4-Chlorophenyl)-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3ylmethyl]methylaShow More⌵

Mol. Formula:
C19H18Cl2N2

M.W.:
345.27

Type:
---

AlogP:
5.48

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5207764

Name:

Mol. Formula:
C20H27ClN2O

M.W.:
346.90

2 activity values

2 unique targets

Type:
---

AlogP:
3.64

Polar Surface Area:
28.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5207655

Name:
10-Ethoxy-ibogaine

Mol. Formula:
C21H28N2O

M.W.:
324.47

2 activity values

2 unique targets

Type:
---

AlogP:
4.33

Polar Surface Area:
28.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5202868

Name:
Noribogaine

Mol. Formula:
C19H24N2O

M.W.:
296.41

2 activity values

2 unique targets

Type:
---

AlogP:
3.63

Polar Surface Area:
39.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5201219

Name:

Mol. Formula:
C20H26N2

M.W.:
294.44

2 activity values

2 unique targets

Type:
---

AlogP:
3.94

Polar Surface Area:
8.17

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5188930

Name:

Mol. Formula:
C21H25N3

M.W.:
319.45

2 activity values

2 unique targets

Type:
---

AlogP:
3.81

Polar Surface Area:
31.96

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5188726

Name:

Mol. Formula:
C20H25BrN2O

M.W.:
389.34

2 activity values

2 unique targets

Type:
---

AlogP:
4.70

Polar Surface Area:
28.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5184088

Name:

Mol. Formula:
C19H24N2

M.W.:
280.42

2 activity values

2 unique targets

Type:
---

AlogP:
3.93

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5180373

Name:

Mol. Formula:
C22H30N2

M.W.:
322.50

2 activity values

2 unique targets

Type:
---

AlogP:
4.50

Polar Surface Area:
8.17

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS