Compounds

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
91.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3981313

Name:
N-[3-(4-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-3Show More⌵

Mol. Formula:
C20H11ClF3N3O3S

M.W.:
465.84

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
91.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3979607

Name:
N-[3-(4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-3-Show More⌵

Mol. Formula:
C21H11F3N4O3S

M.W.:
456.40

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
115.71

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3979361

Name:
Propane-1-sulfonic acid {2,4-difluoro-3-[5-(4-methanesulfonylamino-phenyl)-Show More⌵

Mol. Formula:
C24H22F2N4O5S2

M.W.:
548.59

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
138.09

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3977421

Name:
Pyridine-3-sulfonic acid [2,4-difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridinShow More⌵

Mol. Formula:
C20H14F2N4O3S

M.W.:
428.42

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3968167

Name:
Pyridine-3-sulfonic acid [3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)Show More⌵

Mol. Formula:
C19H11ClF2N4O3S

M.W.:
448.84

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3961672

Name:
Propane-1-sulfonic acid {2,4-difluoro-3-[5-(6-hydroxy-pyridin-3-yl)-1H-pyrrShow More⌵

Mol. Formula:
C22H18F2N4O4S

M.W.:
472.47

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
125.04

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3958968

Name:
Propane-1-sulfonic acid (2,4-difluoro-3-{5-[6-(2-pyrrolidin-1-yl-ethoxy)-pyShow More⌵

Mol. Formula:
C28H29F2N5O4S

M.W.:
569.63

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
117.28

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3957835

Name:
N-[2,4-Difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-phenyl]-Show More⌵

Mol. Formula:
C21H13F4N3O4S

M.W.:
479.41

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
101.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3949599

Name:
N-[2,4-Difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-phenyl]-Show More⌵

Mol. Formula:
C21H13F4N3O4S

M.W.:
479.41

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
101.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3948750

Name:
N-[2,4-Difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-phenyl]-3Show More⌵

Mol. Formula:
C21H14F3N3O3S

M.W.:
445.42

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
91.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3948349

Name:
Propane-1-sulfonic acid [3-(5-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)Show More⌵

Mol. Formula:
C19H15F2N3O3S

M.W.:
403.41

24 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
91.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3945707

Name:
Propane-1-sulfonic acid {2,4-difluoro-3-[5-(3-methoxy-prop-1-ynyl)-1H-pyrroShow More⌵

Mol. Formula:
C21H19F2N3O4S

M.W.:
447.46

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
101.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3942381

Name:
Propane-1-sulfonic acid {3-[5-(2-dimethylamino-pyrimidin-5-yl)-1H-pyrrolo[2Show More⌵

Mol. Formula:
C23H22F2N6O3S

M.W.:
500.53

21 activity values

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
120.94

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3941703

Name:
N-[3-(5-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-2-Show More⌵

Mol. Formula:
C21H11F3N4O3S

M.W.:
456.40

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
115.71

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3941565

Name:
Propane-1-sulfonic acid (2,4-difluoro-3-{5-[6-(3-pyrrolidin-1-yl-propoxy)-pShow More⌵

Mol. Formula:
C29H31F2N5O4S

M.W.:
583.66

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
117.28

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3939013

Name:
N-[2,4-Difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-phenyl]-2Show More⌵

Mol. Formula:
C21H14F3N3O3S

M.W.:
445.42

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
91.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3934437

Name:
N-[3-(4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-2-Show More⌵

Mol. Formula:
C21H11F3N4O3S

M.W.:
456.40

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
115.71

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3931676

Name:
N-[3-(5-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluoro-phenyl]-benzenShow More⌵

Mol. Formula:
C21H13FN4O3S

M.W.:
420.43