Compounds

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
147.98

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4218098

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((3R)-1-(2-(morpholinShow More⌵

Mol. Formula:
C31H42FN3O5

M.W.:
555.69

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4217427

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((R)-1-(2-(methylaminShow More⌵

Mol. Formula:
C29H41FN4O4

M.W.:
528.67

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
102.93

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4217169

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((R)-1-(3-(piperidin-Show More⌵

Mol. Formula:
C33H46FN3O4

M.W.:
567.75

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4217145

Name:
methyl 4-((R)-1-(5-aminopentanoyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobipheShow More⌵

Mol. Formula:
C30H42FN3O4

M.W.:
527.68

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
104.89

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4216413

Name:
methyl 4-((3R)-1-(4-amino-3-hydroxybutanoyl)piperidin-3-yl)-4-(3'-ethyl-6-fShow More⌵

Mol. Formula:
C29H40FN3O5

M.W.:
529.65

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
125.12

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4215948

Name:
methyl 4-((R)-1-((R)-4-amino-5-hydroxypentanoyl)piperidin-3-yl)-4-(3'-ethylShow More⌵

Mol. Formula:
C30H42FN3O5

M.W.:
543.68

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
125.12

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4215302

Name:
methyl 4-((R)-1-(6-aminohexanoyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobiphenShow More⌵

Mol. Formula:
C31H44FN3O4

M.W.:
541.71

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
104.89

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4214993

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((3R)-1-(3-(piperidinShow More⌵

Mol. Formula:
C33H46FN3O4

M.W.:
567.75

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4214937

Name:
methyl 4-((R)-1-((1R,3S)-3-aminocyclopentanecarbonyl)piperidin-3-yl)-4-(6-cShow More⌵

Mol. Formula:
C31H42ClN3O4

M.W.:
556.15

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
104.89

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4214743

Name:
(2S)-benzyl 2-amino-5-((3R)-3-(1-(3'-ethyl-6-fluorobiphenyl-2-yl)-1-hydroxyShow More⌵

Mol. Formula:
C37H46FN3O6

M.W.:
647.79

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
131.19

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4213654

Name:
methyl 4-((R)-1-(4-(dimethylamino)butanoyl)piperidin-3-yl)-4-(3'-ethyl-6-flShow More⌵

Mol. Formula:
C31H44FN3O4

M.W.:
541.71

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
82.11

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4213339

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((3R)-1-(morpholine-2Show More⌵

Mol. Formula:
C30H40FN3O5

M.W.:
541.66

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4213141

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((R)-1-(piperidine-4-Show More⌵

Mol. Formula:
C31H42FN3O4

M.W.:
539.69

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4213138

Name:
methyl 4-((R)-1-((S)-4-amino-3-hydroxybutanoyl)piperidin-3-yl)-4-(3'-ethyl-Show More⌵

Mol. Formula:
C29H40FN3O5

M.W.:
529.65

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
125.12

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4212859

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((3R)-1-(3-hydroxy-4-Show More⌵

Mol. Formula:
C30H42FN3O5

M.W.:
543.68

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
111.13

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4212823

Name:
methyl 4-((R)-1-(3-aminopropanoyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobipheShow More⌵

Mol. Formula:
C28H38FN3O4

M.W.:
499.63

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
104.89

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4212429

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((3R)-1-(2-(piperidinShow More⌵

Mol. Formula:
C32H44FN3O4

M.W.:
553.72

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4211697

Name:
methyl 4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxy-4-((R)-1-(2-(piperidin-Show More⌵

Mol. Formula:
C32H44FN3O4

M.W.:
553.72

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4211388

Name:
methyl 4-(6-chloro-3'-ethylbiphenyl-2-yl)-4-hydroxy-4-((R)-1-(4-(methylaminShow More⌵

Mol. Formula:
C30H42ClN3O4

M.W.:
544.14