Compounds

ALA4218990

Name:
5-((4-Chlorobenzyl)thio)-1,3-diethyl-6-((E)-((E)-3-(2-methoxyphenyl)allylidShow More⌵

Mol. Formula:
C25H28ClN5O2S

M.W.:
498.05

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
60.74

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4218480

Name:
1,3-Dimethyl-4-((E)-((E)-3-phenylallylidene)amino)tetrahydroimidazo[4,5-d]iShow More⌵

Mol. Formula:
C15H17N5O2

M.W.:
299.33

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
68.25

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4217766

Name:
1,3-Diethyl-6-((E)-((E)-3-(4-methoxyphenyl)allylidene)amino)-5-(methylthio)Show More⌵

Mol. Formula:
C19H25N5O2S

M.W.:
387.51

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
60.74

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4217246

Name:
1-Methyl-5-(methylthio)-6-((E)-((E)-3-(2-nitrophenyl)allylidene)amino)-3-phShow More⌵

Mol. Formula:
C21H20N6O3S

M.W.:
436.50

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
94.65

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4214297

Name:
1,3-Diethyl-5-(ethylthio)-6-((E)-((E)-3-phenylallylidene)amino)-3,3a,6,6a-tShow More⌵

Mol. Formula:
C19H25N5OS

M.W.:
371.51

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
51.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4214067

Name:
5-((4-Chlorobenzyl)thio)-6-((E)-((E)-3-(furan-2-yl)allylidene)amino)-1,3-diShow More⌵

Mol. Formula:
C20H20ClN5O2S

M.W.:
429.93

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
64.65

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4213356

Name:
1,3-Dimethyl-5-(methylthio)-6-((E)-((E)-3-phenylallylidene)amino)-3,3a,6,6aShow More⌵

Mol. Formula:
C16H19N5OS

M.W.:
329.43

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
51.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4212816

Name:
5-(Ethylthio)-1,3-dimethyl-6-((E)-((E)-3-phenylallylidene)amino)-3,3a,6,6a-Show More⌵

Mol. Formula:
C17H21N5OS

M.W.:
343.46

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
51.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4209405

Name:
5-((4-Chlorobenzyl)thio)-1,3-dimethyl-6-((E)-((E)-3-phenylallylidene)amino)Show More⌵

Mol. Formula:
C22H22ClN5OS

M.W.:
439.97

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
51.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4208970

Name:
6-((E)-((E)-3-(4-Methoxyphenyl)allylidene)amino)-1,3-dimethyl-5-(methylthioShow More⌵

Mol. Formula:
C17H21N5O2S

M.W.:
359.46

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
60.74

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4208435

Name:
6-((E)-((E)-3-(2-Methoxyphenyl)allylidene)amino)-1,3-dimethyl-5-(methylthioShow More⌵

Mol. Formula:
C17H21N5O2S

M.W.:
359.46

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
60.74

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4205535

Name:
1-Methyl-5-(methylthio)-3-phenyl-6-((E)-((E)-3-phenylallylidene)amino)-3,3aShow More⌵

Mol. Formula:
C21H21N5OS

M.W.:
391.50

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
51.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4204095

Name:
6-((E)-((E)-3-(Furan-2-yl)allylidene)amino)-1,3-dimethyl-5-(methylthio)-3,3Show More⌵

Mol. Formula:
C14H17N5O2S

M.W.:
319.39

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
64.65

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1819318

Name:
3-methyl-4-nitro-2-phenyl-1H-indol-7-ol

Mol. Formula:
C15H12N2O3

M.W.:
268.27

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
79.16

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1819317

Name:
3-methyl-7-nitro-2-phenyl-1H-indol-4-ol

Mol. Formula:
C15H12N2O3

M.W.:
268.27

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
79.16

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1819316

Name:
3-methyl-5-nitro-2-phenyl-1H-indol-7-ol

Mol. Formula:
C15H12N2O3

M.W.:
268.27

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
79.16

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1819315

Name:
3-methyl-7-nitro-2-phenyl-1H-indol-5-ol

Mol. Formula:
C15H12N2O3

M.W.:
268.27

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
79.16

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1819314

Name:
1-(4-Chlorobenzyl)-6-nitro-2-phenyl-1H-indol-4-ol

Mol. Formula:
C21H15ClN2O3

M.W.:
378.82

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
68.30

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1819313

Name:
1-Methyl-6-nitro-2-phenyl-1H-indol-4-ol

Mol. Formula:
C15H12N2O3

M.W.:
268.27

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
68.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1819312

Name:
4-Methoxy-1-methyl-6-nitro-2-phenyl-1H-indole

Mol. Formula:
C16H14N2O3

M.W.:
282.30

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
57.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS