Compounds

ALA5271468

Name:
4-((3-aminopropyl)amino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)nicotinaShow More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

Type:
---

AlogP:
4.08

Polar Surface Area:
100.27

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5270619

Name:
2-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)benzonitriShow More⌵

Mol. Formula:
C27H22F2N4

M.W.:
440.50

Type:
---

AlogP:
5.65

Polar Surface Area:
65.94

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5270465

Name:
1-(3-(3,5-dichlorophenyl)quinolin-4-yl)piperidin-4-amine

Mol. Formula:
C20H19Cl2N3

M.W.:
372.30

Type:
---

AlogP:
5.14

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5268837

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)benzonitriShow More⌵

Mol. Formula:
C27H22F2N4

M.W.:
440.50

Type:
---

AlogP:
5.65

Polar Surface Area:
65.94

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5267842

Name:
PALTUSOTINE

Mol. Formula:
C27H22F2N4O

M.W.:
456.50

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5279994

Name:
2-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)-6-fluoropShow More⌵

Mol. Formula:
C26H22F3N3O

M.W.:
449.48

Type:
---

AlogP:
5.62

Polar Surface Area:
62.38

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5279978

Name:
N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydroxynaphthalen-2-yl)isonicoShow More⌵

Mol. Formula:
C26H25N3O2

M.W.:
411.51

Type:
---

AlogP:
4.58

Polar Surface Area:
88.24

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5279790

Name:
2-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)phenol

Mol. Formula:
C26H23F2N3O

M.W.:
431.49

Type:
---

AlogP:
5.48

Polar Surface Area:
62.38

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5279239

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)benzamide

Mol. Formula:
C27H24F2N4O

M.W.:
458.51

Type:
---

AlogP:
4.87

Polar Surface Area:
85.24

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5278345

Name:
1-(3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl)piperidin-4-aminShow More⌵

Mol. Formula:
C27H25F2N3O

M.W.:
445.51

Type:
---

AlogP:
5.78

Polar Surface Area:
51.38

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5276641

Name:
(S)-tert-butyl 2-((2R,3S)-3-(1H-indol-3-yl)-2-(2-oxo-3-(3-phenylpropyl)imidShow More⌵

Mol. Formula:
C34H47N5O4

M.W.:
589.78

Type:
---

AlogP:
4.97

Polar Surface Area:
120.76

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5276605

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)-5-fluoro-Show More⌵

Mol. Formula:
C27H21F3N4O

M.W.:
474.49

Type:
---

AlogP:
5.49

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5275725

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(2-fluorophenyl)quinolin-6-yl)-2-hydroxybenzShow More⌵

Mol. Formula:
C27H23FN4O

M.W.:
438.51

Type:
---

AlogP:
5.21

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5273476

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)quinolin-6-yl)-2-hydroxybenzShow More⌵

Mol. Formula:
C27H23FN4O

M.W.:
438.51

Type:
---

AlogP:
5.21

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5273093

Name:
4-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)benzonitriShow More⌵

Mol. Formula:
C27H22F2N4

M.W.:
440.50

Type:
---

AlogP:
5.65

Polar Surface Area:
65.94

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5273084

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)quinolin-6-yl)-2-hydroxybenzShow More⌵

Mol. Formula:
C27H23FN4O

M.W.:
438.51

Type:
---

AlogP:
5.21

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5272881

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl)benzoic acShow More⌵

Mol. Formula:
C27H23F2N3O2

M.W.:
459.50

Type:
---

AlogP:
5.47

Polar Surface Area:
79.45

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5286879

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl)-2-hyShow More⌵

Mol. Formula:
C28H25FN4O

M.W.:
452.53

Type:
---

AlogP:
5.52

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5286792

Name:
1-(3-(3,5-difluorophenyl)-6-(3-fluorophenyl)quinolin-4-yl)piperidin-4-amine

Mol. Formula:
C26H22F3N3

M.W.:
433.48

Type:
---

AlogP:
5.91

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5286495

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenyl)quinolin-6-yl)-2-hydroxyShow More⌵

Mol. Formula:
C27H22F2N4O

M.W.:
456.50

Type:
---

AlogP:
5.35

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS