Compounds

Type:
---

AlogP:
4.26

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5207513

Name:
5-chloro-7-[2-pyridyl(pyrrolidin-1-yl)methyl]quinolin-8-ol

Mol. Formula:
C19H18ClN3O

M.W.:
339.83

Type:
---

AlogP:
4.17

Polar Surface Area:
49.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5207343

Name:
4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol

Mol. Formula:
C13H20N2O2

M.W.:
236.31

Type:
---

AlogP:
1.15

Polar Surface Area:
35.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5207286

Name:
2-[(8-hydroxy-7-quinolyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol

Mol. Formula:
C19H18N2O3

M.W.:
322.36

Type:
---

AlogP:
2.91

Polar Surface Area:
76.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(8α,9S)-6''-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione

Name:
3-(3,5-bis(trifluoromethyl)phenylamino)-4-((S)-(6-methoxyquinolin-4-yl)((2SShow More⌵

Mol. Formula:
C32H28F6N4O3

M.W.:
630.59

Type:
---

AlogP:
6.67

Polar Surface Area:
83.56

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5203857

Name:
(S)-((2S,4S,8S)-8-ethynylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanamiShow More⌵

Mol. Formula:
C20H23N3O

M.W.:
321.42

6 activity values

Type:
---

AlogP:
2.59

Polar Surface Area:
51.38

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5203096

Name:
5-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C14H16N2O

M.W.:
228.29

Type:
---

AlogP:
2.54

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA5202771

Name:
5-(ethoxymethyl)-7-[(4-methyl-1-piperidyl)methyl]quinolin-8-ol

Mol. Formula:
C19H26N2O2

M.W.:
314.43

Type:
---

AlogP:
3.71

Polar Surface Area:
45.59

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5202098

Name:
1-[4-hydroxy-3-(1-piperidylmethyl)phenyl]ethanone

Mol. Formula:
C14H19NO2

M.W.:
233.31

Type:
---

AlogP:
2.58

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA5201945

Name:
5-chloro-7-[phenyl(1-piperidyl)methyl]quinolin-8-ol

Mol. Formula:
C21H21ClN2O

M.W.:
352.87

Type:
---

AlogP:
5.17

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5201552

Name:
4-hydroxy-3-(1-piperidylmethyl)benzaldehyde

Mol. Formula:
C13H17NO2

M.W.:
219.28

Type:
---

AlogP:
2.19

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5201290

Name:
5-(ethoxymethyl)-7-(1-piperidylmethyl)quinolin-8-ol

Mol. Formula:
C18H24N2O2

M.W.:
300.40

Type:
---

AlogP:
3.46

Polar Surface Area:
45.59

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5200986

Name:
5-chloro-7-(diethylaminomethyl)quinolin-8-ol

Mol. Formula:
C14H17ClN2O

M.W.:
264.76

13 activity values

Type:
---

AlogP:
3.44

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5200983

Name:
5-chloro-7-[(4-ethylpiperazin-1-yl)-(2-pyridyl)methyl]quinolin-8-ol

Mol. Formula:
C21H23ClN4O

M.W.:
382.90

Type:
---

AlogP:
3.72

Polar Surface Area:
52.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5200706

Name:
ethyl 1-[(5-chloro-8-hydroxy-7-quinolyl)methyl]piperidine-4-carboxylate

Mol. Formula:
C18H21ClN2O3

M.W.:
348.83

13 activity values

Type:
---

AlogP:
3.37

Polar Surface Area:
62.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5199607

Name:
5-bromo-7-(morpholinomethyl)quinolin-8-ol

Mol. Formula:
C14H15BrN2O2

M.W.:
323.19

Type:
---

AlogP:
2.54

Polar Surface Area:
45.59

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5199596

Name:
7-[[bis(2-hydroxyethyl)amino]methyl]-5-nitro-quinolin-8-ol

Mol. Formula:
C14H17N3O5

M.W.:
307.31

Type:
---

AlogP:
0.64

Polar Surface Area:
119.96

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5198328

Name:
5-(methoxymethyl)-7-[(4-methyl-1-piperidyl)methyl]quinolin-8-ol

Mol. Formula:
C18H24N2O2

M.W.:
300.40

Type:
---

AlogP:
3.32

Polar Surface Area:
45.59

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5197881

Name:
5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C14H15BrN2O

M.W.:
307.19

Type:
---

AlogP:
3.30

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

2-(4-Morpholinylmethyl)phenol

Name:
2-(morpholinomethyl)phenol

Mol. Formula:
C11H15NO2

M.W.:
193.25