Compounds

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
79.01

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2286226

Name:
Methyl 1-{6-chloro-5-[4-difluoromethyl-3-methyl-5-oxo-4,5-dihydro-1,2,4-triShow More⌵

Mol. Formula:
C14H11ClF2N4O3S2

M.W.:
420.85

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
79.01

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2286223

Name:
1-[2-(butylthio)-6-chlorobenzothiazol-5-yl]-3-methyl-4-difluoromethyl-1H-1,Show More⌵

Mol. Formula:
C15H15ClF2N4OS2

M.W.:
404.90

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
52.71

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2286220

Name:
1-[6-chloro-2-(methylthio)benzothiazol-5-yl]-3-methyl-4-difluoromethyl-1H-1Show More⌵

Mol. Formula:
C12H9ClF2N4OS2

M.W.:
362.81

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
52.71

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2286215

Name:
Ethyl 1-{6-bromo-5-[4-difluoromethyl-3-methyl-5-oxo-4,5-dihydro-1,2,4-triazShow More⌵

Mol. Formula:
C15H13BrF2N4O3S2

M.W.:
479.33

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
79.01

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2285679

Name:
2-[6-chloro-5-(4-difluoromethyl-3-methyl-5-oxo-4,5-dihydro-1,2,4-triazol-1-Show More⌵

Mol. Formula:
C14H11ClF2N4O3S2

M.W.:
420.85

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
90.01

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2286213

Name:
3-{6-chloro-5-[4-difluoromethyl-3-methyl-5-oxo-4,5-dihydro-1,2,4-triazol-1-Show More⌵

Mol. Formula:
C14H11ClF2N4O3S2

M.W.:
420.85

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
90.01

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2228332

Name:
S-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluorobenzo[d]thiShow More⌵

Mol. Formula:
C17H13FN2O4S2

M.W.:
392.43

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2228330

Name:
ethyl 2-(5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluorobenzShow More⌵

Mol. Formula:
C19H17FN2O4S2

M.W.:
420.49

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2228329

Name:
ethyl 2-(5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluorobenzShow More⌵

Mol. Formula:
C20H19FN2O4S2

M.W.:
434.51

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2228328

Name:
isopropyl 2-(5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluoroShow More⌵

Mol. Formula:
C20H19FN2O4S2

M.W.:
434.51

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2228327

Name:
tert-butyl 2-(5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluorShow More⌵

Mol. Formula:
C21H21FN2O4S2

M.W.:
448.54

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2228326

Name:
propyl 2-(5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluorobenShow More⌵

Mol. Formula:
C20H19FN2O4S2

M.W.:
434.51

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2228325

Name:
ethyl 3-(5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-6-fluorobenzShow More⌵

Mol. Formula:
C20H19FN2O4S2

M.W.:
434.51

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2228324

Name:
S-6-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)benzo[d]thiShow More⌵

Mol. Formula:
C17H13ClN2O4S2

M.W.:
408.89

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2228323

Name:
S-6-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)benzo[d]thiShow More⌵

Mol. Formula:
C18H15ClN2O4S2

M.W.:
422.92

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2228322

Name:
ethyl 2-(6-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)benzShow More⌵

Mol. Formula:
C19H17ClN2O4S2

M.W.:
436.94

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2228321

Name:
ethyl 2-(6-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)benzShow More⌵

Mol. Formula:
C20H19ClN2O4S2

M.W.:
450.97

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2228320

Name:
ethyl 2-(6-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)benzShow More⌵

Mol. Formula:
C21H21ClN2O4S2

M.W.:
465.00

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2228319

Name:
ethyl 3-(6-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)benzShow More⌵

Mol. Formula:
C20H19ClN2O4S2

M.W.:
450.97