Compounds

5 unique targets

Type:
Small molecule

AlogP:
-0.24

Polar Surface Area:
161.50

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2288508

Name:
2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-N-methoxy-N-methylnicShow More⌵

Mol. Formula:
C15H18N6O7S

M.W.:
426.41

4 unique targets

Type:
Small molecule

AlogP:
0.03

Polar Surface Area:
161.94

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2288506

Name:
2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-N-ethyl-N-methylnicotShow More⌵

Mol. Formula:
C16H20N6O6S

M.W.:
424.44

3 activity values

Type:
Small molecule

AlogP:
0.49

Polar Surface Area:
152.71

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2288505

Name:
methyl 2-(2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)nicotinamidoShow More⌵

Mol. Formula:
C16H18N6O8S

M.W.:
454.42

6 activity values

Type:
Small molecule

AlogP:
-0.70

Polar Surface Area:
187.80

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2288503

Name:
N-cyclopropyl-2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)nicotinaShow More⌵

Mol. Formula:
C16H18N6O6S

M.W.:
422.42

2 activity values

Type:
Small molecule

AlogP:
0.29

Polar Surface Area:
161.50

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2288498

Name:
2-(N-(4,6-dimethylpyrimidin-2-ylcarbamoyl)sulfamoyl)-N,N-dimethylnicotinamiShow More⌵

Mol. Formula:
C15H18N6O4S

M.W.:
378.41

6 activity values

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
134.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2288491

Name:
2-(N-(4,6-dimethoxy-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)-N,N-dimethylnicoShow More⌵

Mol. Formula:
C14H17N7O6S

M.W.:
411.40

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
-0.50

Polar Surface Area:
165.60

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2288490

Name:
2-(N-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)-N,N-dimethyShow More⌵

Mol. Formula:
C14H17N7O5S

M.W.:
395.40

6 activity values

Type:
Small molecule

AlogP:
-0.20

Polar Surface Area:
156.37

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2287945

Name:
N-(2,6-difluorophenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yShow More⌵

Mol. Formula:
C14H11F5N2O3

M.W.:
350.24

3 activity values

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287943

Name:
N-(2,5-dimethylphenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yShow More⌵

Mol. Formula:
C16H17F3N2O3

M.W.:
342.32

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2287936

Name:
N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N-(4-propylphenylShow More⌵

Mol. Formula:
C17H19F3N2O3

M.W.:
356.34

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287910

Name:
2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N-phenyl-N-propylacetamide

Mol. Formula:
C16H17F3N2O3

M.W.:
342.32

3 activity values

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2287909

Name:
N-ethyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N-phenylacetamide

Mol. Formula:
C15H15F3N2O3

M.W.:
328.29

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2287905

Name:
N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N-phenylacetamide

Mol. Formula:
C14H13F3N2O3

M.W.:
314.26

10 activity values

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2287702

Name:
(R)-Indanofan

Mol. Formula:
C20H17ClO3

M.W.:
340.81

11 activity values

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
46.67

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2285682

Name:
5-hexyl-3-(1-hydroxyethylidene)pyrrolidine-2,4-dione

Mol. Formula:
C12H19NO3

M.W.:
225.29

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2286508

Name:
3-(1-hydroxyethylidene)-5-(2-(4-methoxyphenyl)-2-oxoethyl)pyrrolidine-2,4-dShow More⌵

Mol. Formula:
C15H15NO5

M.W.:
289.29

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
92.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2286483

Name:
4-(3-chlorobenzyloxy)benzimidamide hydrochloride

Mol. Formula:
C14H14Cl2N2O

M.W.:
297.18

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
59.10

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2286482

Name:
4-(2,4-dichlorobenzyloxy)benzimidamide hydrochloride

Mol. Formula:
C14H13Cl3N2O

M.W.:
331.63

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
59.10

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2286479

Name:
4-(heptyloxy)benzimidamide hydrochloride

Mol. Formula:
C14H23ClN2O

M.W.:
270.80