Compounds

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
83.89

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4294738

Name:
(E)-4-(2-(5-bromobenzo[d]thiazol-2-yl)vinyl)-N,N-diethyl-benzenesulfonamide

Mol. Formula:
C19H19BrN2O2S2

M.W.:
451.41

3 activity values

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4294147

Name:
(E)-4-(2-(benzo[d]thiazol-2-yl)vinyl)-N,N-dimethyl-benzenesulfonamide

Mol. Formula:
C17H16N2O2S2

M.W.:
344.46

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4293239

Name:
(E)-N,N-diethyl-4-(2-(5-methoxybenzo[d]thiazol-2-yl)vinyl)benzenesulfonamidShow More⌵

Mol. Formula:
C20H22N2O3S2

M.W.:
402.54

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
59.50

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4293059

Name:
(E)-4-(2-(benzo[d]thiazol-2-yl)vinyl)-N,N-diethyl-2-fluorobenzenesulfonamidShow More⌵

Mol. Formula:
C19H19FN2O2S2

M.W.:
390.51

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4291382

Name:
2-(naphthalen-1-yl)-N-(2-(2-oxo-2-(pyrrolidin-1-yl)ethylthio)benzo[d]thiazoShow More⌵

Mol. Formula:
C25H23N3O2S2

M.W.:
461.61

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
62.30

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4291334

Name:
(E)-N,N-diethyl-4-(2-(5-fluorobenzo[d]thiazol-2-yl)vinyl)benzenesulfonamide

Mol. Formula:
C19H19FN2O2S2

M.W.:
390.51

5 activity values

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4290743

Name:
(E)-4-(2-(5,6-dimethylbenzo[d]thiazol-2-yl)vinyl)-N,N-diethyl-benzenesulfonShow More⌵

Mol. Formula:
C21H24N2O2S2

M.W.:
400.57

3 activity values

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4290304

Name:
2-(7-Methyl-4-oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,2,3]triazShow More⌵

Mol. Formula:
C22H20N4O2S

M.W.:
404.50

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
76.88

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4289672

Name:
(E)-4-(2-(benzo[d]thiazol-2-yl)vinyl)-N-(4-methylbenzyl)benzenesulfonamide

Mol. Formula:
C23H20N2O2S2

M.W.:
420.56

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4288384

Name:
N,N-diethyl-4-(2-(6-fluorobenzo[d]thiazol-2-yl)vinyl)benzenesulfonamide

Mol. Formula:
C19H19FN2O2S2

M.W.:
390.51

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4287978

Name:
2-(2-(3-cyano-4-phenyl-6-(thiophen-2-yl)pyridin-2-ylthio)acetamido)acetic aShow More⌵

Mol. Formula:
C20H15N3O3S2

M.W.:
409.49

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
103.08

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4287741

Name:
(E)-4-(2-(benzo[d]thiazol-2-yl)vinyl)-N,N-diethyl-2-methylbenzenesulfonamidShow More⌵

Mol. Formula:
C20H22N2O2S2

M.W.:
386.54

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4286898

Name:
3,3'-thiobis(N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide)

Mol. Formula:
C14H20N6O2S3

M.W.:
400.56

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
109.76

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4286255

Name:
(E)-4-(2-(benzo[d]thiazol-2-yl)vinyl)-N-phenyl-benzenesulfonamide

Mol. Formula:
C21H16N2O2S2

M.W.:
392.51

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4284133

Name:
(E)-N,N-diethyl-4-(2-(5-methylbenzo[d]thiazol-2-yl)vinyl)benzenesulfonamide

Mol. Formula:
C20H22N2O2S2

M.W.:
386.54

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4282647

Name:
(E)-4-(2-(6-bromobenzo[d]thiazol-2-yl)vinyl)-N,N-diethyl-benzenesulfonamide

Mol. Formula:
C19H19BrN2O2S2

M.W.:
451.41

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4282450

Name:
(E)-4-(2-(benzo[d]thiazol-2-yl)vinyl)-N-(4-methoxyphenyl)benzenesulfonamide

Mol. Formula:
C23H20N2O3S2

M.W.:
436.56

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4280681

Name:
(E)-4-(2-(5-chlorobenzo[d]thiazol-2-yl)vinyl)-N,N-diethyl-benzenesulfonamidShow More⌵

Mol. Formula:
C19H19ClN2O2S2

M.W.:
406.96

3 activity values

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4280076

Name:
2,8-bis(5-methylfuran-2-yl)pyrido[3,2-g]quinoline-4,6-dicarboxylic acid

Mol. Formula:
C24H16N2O6

M.W.:
428.40