Compounds

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5199572

Name:
(4S)-5-[[(1S,2S)-1-[[(1S)-2-[[(1R)-5-amino-1-carbamoyl-pentyl]amino]-1-methShow More⌵

Mol. Formula:
C60H100IN23O19

M.W.:
1574.51

4 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5209851

Name:
(4S)-4-[[(2S)-6-amino-2-[[(2S)-6-[[(3R)-4-amino-3-[6-[[(2S,3S,4R)-5-[(9S)-6Show More⌵

Mol. Formula:
C53H89N21O17

M.W.:
1292.42

3 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5194339

Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-[[(3R)-4-amino-3-[6-[[(2S,3S,4R,5R)-5-(6-aShow More⌵

Mol. Formula:
C89H162N46O22

M.W.:
2228.58

3 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

CHR-6494

Name:
3-(1H-indazol-5-yl)-N-propyl-imidazo[1,2-b]pyridazin-6-amine

Mol. Formula:
C16H16N6

M.W.:
292.35

23 activity values

11 unique targets

Type:
---

AlogP:
3.09

Polar Surface Area:
70.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5169980

Name:
(2S,3S,4R,5R)-5-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyShow More⌵

Mol. Formula:
C11H11IN4O5

M.W.:
406.14

2 activity values

Type:
---

AlogP:
-0.68

Polar Surface Area:
143.72

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4649490

Name:
(E)-6-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-6,7-dihydro-5H-indeno[5,6-Show More⌵

Mol. Formula:
C18H12N2O3

M.W.:
304.31

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
64.21

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4647459

Name:
(E)-2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2HShow More⌵

Mol. Formula:
C18H14N2O

M.W.:
274.32

10 activity values

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
45.75

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4644350

Name:
(E)-2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-6,7-dimethoxy-3,4-dihydronShow More⌵

Mol. Formula:
C20H18N2O3

M.W.:
334.38

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
64.21

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4642838

Name:
(Z)-2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-6-hydroxybenzofuran-3(2H)-Show More⌵

Mol. Formula:
C16H10N2O3

M.W.:
278.27

10 activity values

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
75.21

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4642750

Name:
(E)-2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C17H12N2O

M.W.:
260.30

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
45.75

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4640071

Name:
(E)-2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-5-methoxy-2,3-dihydro-1H-iShow More⌵

Mol. Formula:
C18H14N2O2

M.W.:
290.32

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
54.98

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4638859

Name:
(E)-2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-6-methoxy-3,4-dihydronaphtShow More⌵

Mol. Formula:
C19H16N2O2

M.W.:
304.35

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
54.98

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4638373

Name:
(E)-3-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)thiochroman-4-one

Mol. Formula:
C17H12N2OS

M.W.:
292.36

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
45.75

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4637707

Name:
(E)-2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-6-hydroxy-3,4-dihydronaphtShow More⌵

Mol. Formula:
C18H14N2O2

M.W.:
290.32

10 activity values

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
65.98

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4637288

Name:
(E/Z)-3-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)chroman-4-one

Mol. Formula:
C17H12N2O2

M.W.:
276.30

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
54.98

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4635536

Name:
(E)-2-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-7-methoxy-3,4-dihydronaphtShow More⌵

Mol. Formula:
C19H16N2O2

M.W.:
304.35

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
54.98

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2012575

Name:
9-(4-aminobutyl)-1-(trifluoromethyl)-9H-pyrido[3,4-b]indol-7-ol

Mol. Formula:
C16H16F3N3O

M.W.:
323.32

2 activity values

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
64.07

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2012574

Name:
4-(7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indol-9-yl)butan-1-amine

Mol. Formula:
C17H18F3N3O

M.W.:
337.35

303 activity values

276 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
53.07

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2012573

Name:
4-(7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine

Mol. Formula:
C19H25N3O

M.W.:
311.43

2 activity values