Compounds

ALA2286960

Name:
(E)-methyl 2-[2-(3-n-butyl-4-methylcoumarin-7-yloxymethyl)phenyl]-3-methoxyShow More⌵

Mol. Formula:
C26H28O6

M.W.:
436.50

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
74.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2252860

Name:
2-(Methylsulfonyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole

Mol. Formula:
C10H10N2O4S

M.W.:
254.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
82.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2252859

Name:
2-(Methylsulfonyl)-5-(2,6-dichlorophenyl)-1,3,4-oxadiazole

Mol. Formula:
C9H6Cl2N2O3S

M.W.:
293.13

10 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
73.06

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2252858

Name:
2-(Methylsulfonyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole

Mol. Formula:
C9H6F2N2O3S

M.W.:
260.22

10 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
73.06

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2252857

Name:
2-(Methylsulfonyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole

Mol. Formula:
C9H7FN2O3S

M.W.:
242.23

10 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
73.06

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2252856

Name:
2-(Methylsulfonyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole

Mol. Formula:
C8H7N3O3S

M.W.:
225.23

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
85.95

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2252855

Name:
2-(Methylsulfonyl)-5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazole

Mol. Formula:
C9H5F3N2O3S

M.W.:
278.21

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
73.06

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2252854

Name:
2-(Methylsulfonyl)-5-(2-(trifluoromethyl)phenyl)-1,3,4-oxadiazole

Mol. Formula:
C10H7F3N2O3S

M.W.:
292.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
73.06

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2252853

Name:
2-(Methylsulfonyl)-5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazole

Mol. Formula:
C9H6ClFN2O3S

M.W.:
276.68

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
73.06

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2252852

Name:
2-(Methylsulfonyl)-5-(2-methylphenyl)-1,3,4-oxadiazole

Mol. Formula:
C10H10N2O3S

M.W.:
238.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
73.06

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA244876

Name:
4-(4-chlorobenzylthio)-6-fluoroquinazoline

Mol. Formula:
C15H10ClFN2S

M.W.:
304.78

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
25.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA244874

Name:
4-allylthio-6-fluoroquinazoline

Mol. Formula:
C11H9FN2S

M.W.:
220.27

12 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
25.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS