Compounds

ALA3613712

Name:
N-(2-(3,3-Difluorocyclobutyl)-2H-1,2,3-triazol-4-yl)-2-(2-(3-methoxyphenyl)Show More⌵

Mol. Formula:
C23H23F2N5O4S

M.W.:
503.53

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
106.42

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3613711

Name:
2-(2-(3-Methoxyphenyl)acetyl)-N-(2-(tetrahydro-2H-pyran-4-yl)-2H-1,2,3-triaShow More⌵

Mol. Formula:
C24H27N5O5S

M.W.:
497.58

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
115.65

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3613710

Name:
2-(2-(3-Methoxyphenyl)acetyl)-N-(2-(oxetan-3-yl)-2H-1,2,3-triazol-4-yl)isoiShow More⌵

Mol. Formula:
C22H23N5O5S

M.W.:
469.52

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
115.65

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

PF-06471553

Name:
N-(2-Cyclobutyl-2H-1,2,3-triazol-4-yl)-2-(2-(3-methoxyphenyl)-acetyl)isoindShow More⌵

Mol. Formula:
C23H25N5O4S

M.W.:
467.55

37 activity values

19 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
106.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3613708

Name:
N-(2-Isopropyl-2H-1,2,3-triazol-4-yl)-2-(2-(3-methoxyphenyl)-acetyl)isoindoShow More⌵

Mol. Formula:
C22H25N5O4S

M.W.:
455.54

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
106.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3613707

Name:
N-(2-(4-Fluorophenyl)-2H-1,2,3-triazol-4-yl)-2-(2-(3-methoxyphenyl)acetyl)iShow More⌵

Mol. Formula:
C25H22FN5O4S

M.W.:
507.55

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
106.42

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3613706

Name:
2-(2-(3-Methoxyphenyl)acetyl)-N-(2-phenyl-2H-1,2,3-triazol-4-yl)isoindolineShow More⌵

Mol. Formula:
C25H23N5O4S

M.W.:
489.56

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
106.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3613705

Name:
2-(2-(3-Methoxyphenyl)acetyl)-N-(2-methyl-2H-1,2,3-triazol-4-yl)isoindolineShow More⌵

Mol. Formula:
C20H21N5O4S

M.W.:
427.49

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
106.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3613704

Name:
N-(3-Fluorophenethyl)-2-(2-(3-methoxyphenyl)acetyl)-N-methylisoindoline-5-sShow More⌵

Mol. Formula:
C26H27FN2O4S

M.W.:
482.58

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS