Compounds

Type:
---

AlogP:
3.04

Polar Surface Area:
120.72

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5208356

Name:
3-Acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)pShow More⌵

Mol. Formula:
C28H28FN5O5

M.W.:
533.56

Type:
---

AlogP:
4.85

Polar Surface Area:
118.17

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5208083

Name:
3-Acetyl-N-(2-fluoro-3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenylShow More⌵

Mol. Formula:
C23H18F4N4O3

M.W.:
474.41

Type:
---

AlogP:
4.96

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5207470

Name:
3-acetyl-N-(5-chloro-2-fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-methoxyShow More⌵

Mol. Formula:
C22H18ClFN4O3

M.W.:
440.86

Type:
---

AlogP:
4.60

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5205974

Name:
3-(3-Acetyl-7-methoxyindolizine-1-carboxamido)-4-fluoro-5-(1-methyl-1H-pyraShow More⌵

Mol. Formula:
C23H19FN4O5

M.W.:
450.43

7 activity values

3 unique targets

Type:
---

AlogP:
3.64

Polar Surface Area:
114.93

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5204233

Name:
3-Acetyl-7-(aminomethyl)-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazShow More⌵

Mol. Formula:
C23H22FN5O3

M.W.:
435.46

Type:
---

AlogP:
2.88

Polar Surface Area:
114.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5202460

Name:
3-Acetyl-7-(benzyloxy)-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazolShow More⌵

Mol. Formula:
C29H25FN4O4

M.W.:
512.54

Type:
---

AlogP:
5.01

Polar Surface Area:
97.86

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5201144

Name:
N-(2-Fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-hydroxyShow More⌵

Mol. Formula:
C24H23FN4O4

M.W.:
450.47

Type:
---

AlogP:
3.77

Polar Surface Area:
108.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5200678

Name:
3-Acetyl-1-((2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)Show More⌵

Mol. Formula:
C27H27FN4O5

M.W.:
506.53

Type:
---

AlogP:
4.38

Polar Surface Area:
114.93

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5198835

Name:
3-Acetyl-N-(3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)pheShow More⌵

Mol. Formula:
C24H21FN4O4

M.W.:
448.45

Type:
---

AlogP:
3.93

Polar Surface Area:
108.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5198394

Name:
3-Acetyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-Show More⌵

Mol. Formula:
C23H21FN4O4

M.W.:
436.44

Type:
---

AlogP:
3.43

Polar Surface Area:
97.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5195875

Name:
3-Acetyl-7-ethyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)Show More⌵

Mol. Formula:
C24H23FN4O3

M.W.:
434.47

Type:
---

AlogP:
3.99

Polar Surface Area:
88.63

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5195756

Name:
3-Acetyl-N-(2-fluoro-5-formyl-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-methoxyShow More⌵

Mol. Formula:
C23H19FN4O4

M.W.:
434.43

Type:
---

AlogP:
3.75

Polar Surface Area:
94.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5193196

Name:
N1-(2-Fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-hydroxShow More⌵

Mol. Formula:
C22H20FN5O4

M.W.:
437.43

Type:
---

AlogP:
2.29

Polar Surface Area:
120.89

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5192554

Name:
3-Acetyl-N-(3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(1-hydroxyethyl)phShow More⌵

Mol. Formula:
C25H23FN4O4

M.W.:
462.48

Type:
---

AlogP:
4.49

Polar Surface Area:
108.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5192405

Name:
3-acetyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-Show More⌵

Mol. Formula:
C22H19FN4O4

M.W.:
422.42

Type:
---

AlogP:
3.13

Polar Surface Area:
108.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5191527

Name:
3-Acetyl-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-Show More⌵

Mol. Formula:
C23H21FN4O3

M.W.:
420.44

Type:
---

AlogP:
3.73

Polar Surface Area:
88.63

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5191045

Name:
3-Acetyl-7-amino-N-(2-fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)Show More⌵

Mol. Formula:
C22H20FN5O3

M.W.:
421.43

27 activity values

16 unique targets

Type:
---

AlogP:
3.01

Polar Surface Area:
114.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5189533

Name:
Methyl 3-(3-Acetyl-7-methoxyindolizine-1-carboxamido)-4-fluoro-5-(1-methyl-Show More⌵

Mol. Formula:
C24H21FN4O5

M.W.:
464.45

Type:
---

AlogP:
3.73

Polar Surface Area:
103.93

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5185538

Name:
N-(2-Fluoro-5-(hydroxymethyl)-3-(1-methyl-1H-pyrazol-4-yl)phenyl)-7-hydroxyShow More⌵

Mol. Formula:
C25H25FN4O4

M.W.:
464.50