Compounds

Type:
---

AlogP:
3.81

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5197747

Name:
6,9-dimethyl-2-(o-tolyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide

Mol. Formula:
C20H21BrN2

M.W.:
369.31

Type:
---

AlogP:
4.11

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5194356

Name:
9-methyl-2-(o-tolyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide

Mol. Formula:
C19H19BrN2

M.W.:
355.28

Type:
---

AlogP:
3.81

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5193838

Name:
6-oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-10-yl acetate

Mol. Formula:
C16H10N2O3

M.W.:
278.27

2 activity values

Type:
---

AlogP:
2.36

Polar Surface Area:
60.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5185983

Name:
2-(4-chlorophenyl)-6,9-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium broShow More⌵

Mol. Formula:
C19H18BrClN2

M.W.:
389.72

Type:
---

AlogP:
4.46

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5185292

Name:
2-(4-fluorophenyl)-9-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide

Mol. Formula:
C18H16BrFN2

M.W.:
359.24

Type:
---

AlogP:
3.64

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5181428

Name:
9-methyl-2-(m-tolyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide

Mol. Formula:
C19H19BrN2

M.W.:
355.28

Type:
---

AlogP:
3.81

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5176541

Name:
6,9-dimethyl-2-(m-tolyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide

Mol. Formula:
C20H21BrN2

M.W.:
369.31

Type:
---

AlogP:
4.11

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5176268

Name:
2-(4-fluorophenyl)-6,9-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium broShow More⌵

Mol. Formula:
C19H18BrFN2

M.W.:
373.27

Type:
---

AlogP:
3.95

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4649391

Name:
(2S,E)-N'-((6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methylene)-5-oxopyrrolShow More⌵

Mol. Formula:
C15H21N3O2

M.W.:
275.35

Type:
Unknown

AlogP:
1.36

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4649225

Name:
(S,E)-N'-(4-methylbenzylidene)-5-oxopyrrolidine-2-carbohydrazide

Mol. Formula:
C13H15N3O2

M.W.:
245.28

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4648436

Name:
(S,E)-N'-(2,5-difluorobenzylidene)-5-oxopyrrolidine-2-carbohydrazide

Mol. Formula:
C12H11F2N3O2

M.W.:
267.24

Type:
Unknown

AlogP:
0.69

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4648220

Name:
rac-5-(2-(2,5-difluorophenyl)hydrazinyl)pyrrolidin-2-one

Mol. Formula:
C10H11F2N3O

M.W.:
227.21

16 activity values

Type:
Unknown

AlogP:
1.12

Polar Surface Area:
53.16

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.68

DETAILS

ALA4648192

Name:
rac-5-(2-(4-(trifluoromethyl)phenyl)hydrazinyl)pyrrolidin-2-one

Mol. Formula:
C11H12F3N3O

M.W.:
259.23

16 activity values

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
53.16

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA4647886

Name:
(S,E)-N'-(2-hydroxybenzylidene)-5-oxopyrrolidine-2-carbohydrazide

Mol. Formula:
C12H13N3O3

M.W.:
247.25

Type:
Unknown

AlogP:
0.12

Polar Surface Area:
90.79

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4647823

Name:
(S,E)-N'-(4-methoxybenzylidene)-5-oxopyrrolidine-2-carbohydrazide

Mol. Formula:
C13H15N3O3

M.W.:
261.28

Type:
Unknown

AlogP:
0.42

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4647709

Name:
(S,E)-N'-(2,6-dichlorobenzylidene)-5-oxopyrrolidine-2-carbohydrazide

Mol. Formula:
C12H11Cl2N3O2

M.W.:
300.14

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4647640

Name:
(S,E)-5-oxo-N'-(3-phenylpropylidene)pyrrolidine-2-carbohydrazide

Mol. Formula:
C14H17N3O2

M.W.:
259.31

Type:
Unknown

AlogP:
1.00

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4646875

Name:
(S,E)-N'-(4-nitrobenzylidene)-5-oxopyrrolidine-2-carbohydrazide

Mol. Formula:
C12H12N4O4

M.W.:
276.25

Type:
Unknown

AlogP:
0.32

Polar Surface Area:
113.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4644822

Name:
(S,E)-N'-benzylidene-5-oxopyrrolidine-2-carbohydrazide

Mol. Formula:
C12H13N3O2

M.W.:
231.25

15 activity values