Compounds

Type:
Small molecule

AlogP:
6.54

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2289713

Name:
4-Chloro-2-(2,6-difluoro-benzylsulfanyl)-6-trifluoromethyl-benzothiazole

Mol. Formula:
C15H7ClF5NS2

M.W.:
395.81

Type:
Small molecule

AlogP:
6.54

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2289712

Name:
4-Chloro-2-(2-fluoro-benzylsulfanyl)-6-trifluoromethyl-benzothiazole

Mol. Formula:
C15H8ClF4NS2

M.W.:
377.82

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2289711

Name:
2-(3,4-Difluoro-benzylsulfanyl)-6,7-difluoro-benzothiazole

Mol. Formula:
C14H7F4NS2

M.W.:
329.34

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2289710

Name:
2-(2,6-Difluoro-benzylsulfanyl)-6,7-difluoro-benzothiazole

Mol. Formula:
C14H7F4NS2

M.W.:
329.34

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2289453

Name:
6,7-Difluoro-2-(2-fluoro-benzylsulfanyl)-benzothiazole

Mol. Formula:
C14H8F3NS2

M.W.:
311.35

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289452

Name:
2-(3,4-Difluoro-benzylsulfanyl)-5-fluoro-benzothiazole

Mol. Formula:
C14H8F3NS2

M.W.:
311.35

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289451

Name:
2-(2,6-Difluoro-benzylsulfanyl)-5-fluoro-benzothiazole

Mol. Formula:
C14H8F3NS2

M.W.:
311.35

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289450

Name:
5-Fluoro-2-(2-fluoro-benzylsulfanyl)-benzothiazole

Mol. Formula:
C14H9F2NS2

M.W.:
293.36

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289449

Name:
2-(3,4-Difluoro-benzylsulfanyl)-4-fluoro-benzothiazole

Mol. Formula:
C14H8F3NS2

M.W.:
311.35

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289448

Name:
2-(2,6-Difluoro-benzylsulfanyl)-4-fluoro-benzothiazole

Mol. Formula:
C14H8F3NS2

M.W.:
311.35

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289447

Name:
4-Fluoro-2-(2-fluoro-benzylsulfanyl)-benzothiazole

Mol. Formula:
C14H9F2NS2

M.W.:
293.36

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
12.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2251348

Name:
{2-[5-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-[1,Show More⌵

Mol. Formula:
C21H21N7O4S2

M.W.:
499.58

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
129.89

HBA:
13

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2251347

Name:
[2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)phenyl]Show More⌵

Mol. Formula:
C18H19N5O3S

M.W.:
385.45

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
90.97

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2251344

Name:
[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)phenyl]methoxyiminoacetic AciShow More⌵

Mol. Formula:
C17H19N3O3S

M.W.:
345.42

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
73.67

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2251343

Name:
Methoxyimino-[2-(4-oxo-4H-thiochromen-2-ylsulfanyl-methyl)-phenyl]acetic AcShow More⌵

Mol. Formula:
C20H17NO4S2

M.W.:
399.49

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
64.96

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2251342

Name:
3-Methoxy-2-[2-(4-oxo-4H-thiochromen-2-ylsulfanylmethyl)phenyl]acrylic AcidShow More⌵

Mol. Formula:
C21H18O4S2

M.W.:
398.51

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
52.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2251341

Name:
2-{2-[5-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-4Show More⌵

Mol. Formula:
C28H27N7O3S2

M.W.:
573.70

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
109.32

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA2251340

Name:
{2-[4-Amino-5-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmetShow More⌵

Mol. Formula:
C22H24N8O3S2

M.W.:
512.62

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
135.34

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2251339

Name:
2-{2-[5-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-[Show More⌵

Mol. Formula:
C22H22N6O3S3

M.W.:
514.66