Compounds

Type:
---

AlogP:
2.82

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5195440

Name:
N-[(1R,3S)-3-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]Show More⌵

Mol. Formula:
C23H29FN4O2

M.W.:
412.51

31 activity values

10 unique targets

Type:
---

AlogP:
2.96

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5189290

Name:
N-[3-(4-acetylpiperazin-1-yl)-5-fluoro-phenyl]-4-fluoro-7-methyl-1H-indole-Show More⌵

Mol. Formula:
C22H22F2N4O2

M.W.:
412.44

Type:
---

AlogP:
3.68

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5187924

Name:
(S)-2-amino-4-((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetraShow More⌵

Mol. Formula:
C17H27N7O5

M.W.:
409.45

Type:
---

AlogP:
-1.46

Polar Surface Area:
185.87

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5184871

Name:
N-[3-(4-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamShow More⌵

Mol. Formula:
C22H23FN4O2

M.W.:
394.45

24 activity values

3 unique targets

Type:
---

AlogP:
3.54

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5180905

Name:
N-[(1S,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indolShow More⌵

Mol. Formula:
C22H29FN4O2

M.W.:
400.50

Type:
---

AlogP:
2.82

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5178972

Name:
N-[(1R,3S)-3-[(3aS,6aS)-4-acetyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrroShow More⌵

Mol. Formula:
C24H31FN4O2

M.W.:
426.54

9 activity values

3 unique targets

Type:
---

AlogP:
3.35

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5169569

Name:
N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indolShow More⌵

Mol. Formula:
C22H29FN4O2

M.W.:
400.50

Type:
---

AlogP:
2.82

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

EZM0414

Name:
EZM-0414

Mol. Formula:
C22H29FN4O2

M.W.:
400.50

41 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5094380

Name:
4-fluoro-7-methyl-N-(3-(3-(N-methylacetamido)pyrrolidin-1-yl)phenyl)-1H-indShow More⌵

Mol. Formula:
C23H25FN4O2

M.W.:
408.48

2 activity values

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5093241

Name:
N-(3-chloro-5-(4-(dimethylamino)piperidin-1-yl)phenyl)-4-fluoro-7-methyl-1HShow More⌵

Mol. Formula:
C23H26ClFN4O

M.W.:
428.94

2 activity values

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
51.37

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5091735

Name:
4-fluoro-7-methyl-N-(3-(4-methylpiperazin-1-yl)phenyl)-1H-indole-2-carboxamShow More⌵

Mol. Formula:
C21H23FN4O

M.W.:
366.44

2 activity values

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
51.37

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5091341

Name:
N-(cyclopropyl(3-methylpyridin-2-yl)methyl)-7-propyl-1H-indole-2-carboxamidShow More⌵

Mol. Formula:
C22H25N3O

M.W.:
347.46

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5089273

Name:
N-(cyclopropyl(3-methylpyridin-2-yl)methyl)-5-methylimidazo[1,2-a]pyridine-Show More⌵

Mol. Formula:
C19H20N4O

M.W.:
320.40

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5088823

Name:
N-(cyclopropyl(3-methylpyridin-2-yl)methyl)-5-fluoro-7-methyl-1H-indole-2-cShow More⌵

Mol. Formula:
C20H20FN3O

M.W.:
337.40

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5088745

Name:
N-(cyclopropyl(3-methylpyridin-2-yl)methyl)-7-methylbenzo[d]thiazole-2-carbShow More⌵

Mol. Formula:
C19H19N3OS

M.W.:
337.45

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5088515

Name:
4-fluoro-7-methyl-N-((1R,3S)-3-((S)-3-(N-methylacetamido)pyrrolidin-1-yl)cyShow More⌵

Mol. Formula:
C23H31FN4O2

M.W.:
414.53

4 activity values

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5087456

Name:
7-methyl-N-(2-morpholinophenyl)-1H-indole-2-carboxamide

Mol. Formula:
C20H21N3O2

M.W.:
335.41

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
57.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5086739

Name:
N-(cyclopropyl(3-methylpyridin-2-yl)methyl)-7-methylbenzo[b]thiophene-2-carShow More⌵

Mol. Formula:
C20H20N2OS

M.W.:
336.46