Compounds

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
35.25

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4746834

Name:
1-(2,6-Dimethylphenoxy)-3-methylbutan-2-amine hydrochloride

Mol. Formula:
C13H22ClNO

M.W.:
243.78

18 activity values

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
35.25

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4742143

Name:
2-(2,6-dimethylphenoxy)-1-phenylethanamine hydrochloride

Mol. Formula:
C16H20ClNO

M.W.:
277.80

32 activity values

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
35.25

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4741603

Name:
1-(2,6-Dimethylphenoxy)-3,3-dimethylbutan-2-amine hydrochloride

Mol. Formula:
C14H24ClNO

M.W.:
257.80

30 activity values

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
35.25

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3819349

Name:
4-(4-Methoxyphenyl)-4-(2,2,2-trifluoroethoxy)-4H-[1,2,4]-oxadiazolo[3,4-c][Show More⌵

Mol. Formula:
C18H13F3N2O4S

M.W.:
410.37

15 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
66.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3818560

Name:
4-Ethoxy-4-(4-methoxyphenyl)-4H-[1,2,4]oxadiazolo[3,4-c][1,4]-benzothiazin-Show More⌵

Mol. Formula:
C18H16N2O4S

M.W.:
356.40

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
66.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3817941

Name:
4-Hydroxy-4-(4-methoxyphenyl)-4H-[1,2,4]oxadiazolo[3,4-c]-[1,4]benzothiazinShow More⌵

Mol. Formula:
C16H12N2O4S

M.W.:
328.35

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
77.49

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3818275

Name:
4-(Cyclohexylmethoxy)-4-phenyl-4H-[1,2,4]oxadiazolo[3,4-c]-[1,4]benzothiaziShow More⌵

Mol. Formula:
C22H22N2O3S

M.W.:
394.50

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
57.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3819645

Name:
4-Phenyl-4-(propan-2-yloxy)-4H-[1,2,4]oxadiazolo[3,4-c][1,4]-benzothiazin-1Show More⌵

Mol. Formula:
C18H16N2O3S

M.W.:
340.40

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
57.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3817895

Name:
4-Phenyl-4-(2,2,2-trifluoroethoxy)-4H-[1,2,4]oxadiazolo[3,4-c]-[1,4]benzothShow More⌵

Mol. Formula:
C17H11F3N2O3S

M.W.:
380.35

6 activity values

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
57.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3819226

Name:
4-Ethoxy-4-phenyl-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzothiazin-1-one

Mol. Formula:
C17H14N2O3S

M.W.:
326.38

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
57.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3818651

Name:
4-Hydroxy-4-phenyl-4H-[1,2,4]oxadiazolo[3,4-c][1,4]-benzothiazin-1-one

Mol. Formula:
C15H10N2O3S

M.W.:
298.32

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
68.26

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3818043

Name:
8-(Cyclohexylmethoxy)-8-(2-methoxyphenyl)-5-methyl-8H-[1,2,4]oxadiazolo[3,4Show More⌵

Mol. Formula:
C20H24N2O4S

M.W.:
388.49

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
66.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3819180

Name:
8-Ethoxy-8-(2-methoxyphenyl)-5-methyl-8H-[1,2,4]oxadiazolo-[3,4-c][1,4]thiaShow More⌵

Mol. Formula:
C15H16N2O4S

M.W.:
320.37

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
66.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3819023

Name:
8-Hydroxy-8-(2-methoxyphenyl)-5-methyl-8H-[1,2,4]-oxadiazolo[3,4-c][1,4]thiShow More⌵

Mol. Formula:
C13H12N2O4S

M.W.:
292.32

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
77.49

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3817892

Name:
8-(Cyclohexylmethoxy)-8-(3-methoxyphenyl)-5-methyl-8H-[1,2,4]oxadiazolo[3,4Show More⌵

Mol. Formula:
C20H24N2O4S

M.W.:
388.49

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
66.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3818880

Name:
8-(3-Methoxyphenyl)-5-methyl-8-(propan-2-yloxy)-8H-[1,2,4]-oxadiazolo[3,4-cShow More⌵

Mol. Formula:
C16H18N2O4S

M.W.:
334.40

6 activity values

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
66.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3817893

Name:
8-(3-Methoxyphenyl)-5-methyl-8-(2,2,2-trifluoroethoxy)-8H-[1,2,4]oxadiazoloShow More⌵

Mol. Formula:
C15H13F3N2O4S

M.W.:
374.34

6 activity values

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
66.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3819168

Name:
8-Ethoxy-8-(3-methoxyphenyl)-5-methyl-8H-[1,2,4]oxadiazolo-[3,4-c][1,4]thiaShow More⌵

Mol. Formula:
C15H16N2O4S

M.W.:
320.37

5 activity values

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
66.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3819433

Name:
8-(Cyclohexylmethoxy)-8-(4-methoxyphenyl)-5-methyl-8H-[1,2,4]oxadiazolo[3,4Show More⌵

Mol. Formula:
C20H24N2O4S

M.W.:
388.49