Compounds

ALA2270957

Name:
N-{5-[2-(N,N-Dimethyl sulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C20H21F3N4O4S2

M.W.:
502.54

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2270956

Name:
N-{5-[2-(N,N-Dimethylsulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-ylShow More⌵

Mol. Formula:
C19H21N5O6S2

M.W.:
479.54

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
136.79

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2270955

Name:
N-{5-[2-(N,N-Dimethylsulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-ylShow More⌵

Mol. Formula:
C19H21ClN4O4S2

M.W.:
468.99

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2270954

Name:
N-{5-[2-(N,N-Dimethylsulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-ylShow More⌵

Mol. Formula:
C19H22N4O4S2

M.W.:
434.54

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2270953

Name:
N-{5-[2-(4-Methylpiperazinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazoShow More⌵

Mol. Formula:
C23H26F3N5O4S2

M.W.:
557.62

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
96.89

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2270952

Name:
N-{5-[2-(4-Methylpiperazinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazoShow More⌵

Mol. Formula:
C22H26ClN5O4S2

M.W.:
524.07

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
96.89

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2270951

Name:
N-{5-[2-(1-Piperidinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-ylShow More⌵

Mol. Formula:
C23H25F3N4O4S2

M.W.:
542.60

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2270950

Name:
N-{5-[2-(1-Piperidinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-ylShow More⌵

Mol. Formula:
C22H25N5O6S2

M.W.:
519.61

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
136.79

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2270949

Name:
N-{5-[2-(1-Piperidinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-ylShow More⌵

Mol. Formula:
C22H25ClN4O4S2

M.W.:
509.05

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2270948

Name:
N-{5-[2-(1-Pyrrolidinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C22H23F3N4O4S2

M.W.:
528.58

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2270947

Name:
N-{5-[2-(1-Pyrrolidinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C21H23N5O6S2

M.W.:
505.58

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
136.79

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2270946

Name:
N-{5-[2-(1-Pyrrolidinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C21H23ClN4O4S2

M.W.:
495.03

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2270945

Name:
N-{5-[2-(1-Pyrrolidinesulfamoyl)-4,5-dimethoxy-benzyl]-1,3,4-thiadiazol-2-yShow More⌵

Mol. Formula:
C21H24N4O4S2

M.W.:
460.58

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA600063

Name:
(2Z,5Z)-2-{[4-(Adamantan-1-yl)-1,3-thiazol-2-yl]imino}-5-(4-methoxy-benzyliShow More⌵

Mol. Formula:
C24H25N3O2S2

M.W.:
451.62

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
63.58

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA606914

Name:
(2Z,5Z)-2-{[4-(Adamantan-1-yl)-1,3-thiazol-2-yl]imino}-5-(4-hydroxy-3,5-dimShow More⌵

Mol. Formula:
C25H27N3O4S2

M.W.:
497.64

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
93.04

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA592456

Name:
(2Z,5Z)-2-{[4-(Adamantan-1-yl)-1,3-thiazol-2-yl]imino}-5-(4-hydroxy-3-methoShow More⌵

Mol. Formula:
C24H25N3O3S2

M.W.:
467.62

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
83.81

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA606861

Name:
(2Z,5Z)-2-{[4-(Adamantan-1-yl)-1,3-thiazol-2-yl]imino}-5-(4-hydroxybenzylidShow More⌵

Mol. Formula:
C23H23N3O2S2

M.W.:
437.59

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
74.58

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA602908

Name:
2-{[4-(Adamantan-1-yl)-1,3-thiazol-2-yl]imino}-5-(2-nitrobenzylidene)-1,3-tShow More⌵

Mol. Formula:
C23H22N4O3S2

M.W.:
466.59

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
97.49

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA601252

Name:
(2Z,5Z)-2-{[4-(Adamantan-1-yl)-1,3-thiazol-2-yl]imino}-5-(3-nitrobenzylidenShow More⌵

Mol. Formula:
C23H22N4O3S2

M.W.:
466.59

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
97.49

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA602042

Name:
(2Z,5Z)-2-{[4-(Adamantan-1-yl)-1,3-thiazol-2-yl]imino}-5-(4-nitrobenzylidenShow More⌵

Mol. Formula:
C23H22N4O3S2

M.W.:
466.59

32 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
97.49

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS