Compounds

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
81.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2289771

Name:
6-Methyl-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-imidazo[2,1-b]thiazole-5-carboShow More⌵

Mol. Formula:
C12H12N4O3S

M.W.:
292.32

Type:
Small molecule

AlogP:
0.63

Polar Surface Area:
93.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2289770

Name:
(6-Methyl-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-imidazo[2,1-b]thiazol-5-yl)-pShow More⌵

Mol. Formula:
C12H17N3O3S

M.W.:
283.35

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
72.27

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2289767

Name:
6-Chloro-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-imidazo[2,1-b]thiazole-5-carboShow More⌵

Mol. Formula:
C11H9ClN4O3S

M.W.:
312.74

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
93.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2289766

Name:
6-Chloro-1,1-dioxo-2,3-dihydro-1H-1 lambda*6*-imidazo[2,1-b]thiazole-5-carbShow More⌵

Mol. Formula:
C13H12ClN3O3S

M.W.:
325.78

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
72.27

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2289506

Name:
(6-Chloro-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-imidazo[2,1-b]thiazol-5-yl)-pShow More⌵

Mol. Formula:
C11H14ClN3O3S

M.W.:
303.77

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
72.27

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2289504

Name:
1,1-Dioxo-6-phenyl-2,3-dihydro-1H-1lambda*6*-imidazo[2,1-b]thiazole-5-carboShow More⌵

Mol. Formula:
C18H13Cl2N3O3S

M.W.:
422.29

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
81.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

Metrafenone

Name:
Metrafenone

Mol. Formula:
C19H21BrO5

M.W.:
409.28

11 activity values

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2286693

Name:
(E)-2-(2-(2,5-dimethylphenoxy)phenyl)-2-(methoxyimino)-N-methylacetamide

Mol. Formula:
C18H20N2O3

M.W.:
312.37

32 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
59.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2286692

Name:
(E)-2-(2-(5-chloro-3-(trifluoromethyl)pyridin-2-yloxy)phenyl)-2-(methoxyimiShow More⌵

Mol. Formula:
C16H13ClF3N3O3

M.W.:
387.75

15 activity values

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
72.81

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2269455

Name:
(E/Z)-soxazol-3-yl(2-(o-tolyloxymethyl)phenyl)methanone O-methyl oxime

Mol. Formula:
C19H18N2O3

M.W.:
322.36

3 activity values

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2269446

Name:
(E/Z)-soxazol-3-yl(2-((2,3,5-trimethylphenoxy)methyl)phenyl)methanone O-metShow More⌵

Mol. Formula:
C21H22N2O3

M.W.:
350.42

3 activity values