Compounds

ALA1290792

Name:
2-(1-(1-tosyl-1H-indol-3-yl)ethylidene)hydrazineca
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Mol. Formula:
C18H19N5O2S

M.W.:
369.45

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1290791

Name:
2-(1-(1-(phenylsulfonyl)-1H-indol-3-yl)ethylidene)
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Mol. Formula:
C17H17N5O2S

M.W.:
355.42

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1290674

Name:
2-((6-methyl-1-tosyl-1H-indol-3-yl)methylene)hydra
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Mol. Formula:
C18H19N5O2S

M.W.:
369.45

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1290673

Name:
2-((6-methyl-1-(phenylsulfonyl)-1H-indol-3-yl)meth
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Mol. Formula:
C17H17N5O2S

M.W.:
355.42

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1290552

Name:
2-((5-cyano-1-tosyl-1H-indol-3-yl)methylene)hydraz
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Mol. Formula:
C18H16N6O2S

M.W.:
380.43

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
137.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1290551

Name:
2-((5-cyano-1-(phenylsulfonyl)-1H-indol-3-yl)methy
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Mol. Formula:
C17H14N6O2S

M.W.:
366.41

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
137.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1290446

Name:
2-((4-methyl-1-tosyl-1H-indol-3-yl)methylene)hydra
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Mol. Formula:
C18H19N5O2S

M.W.:
369.45

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1290445

Name:
2-((4-methyl-1-(phenylsulfonyl)-1H-indol-3-yl)meth
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Mol. Formula:
C17H17N5O2S

M.W.:
355.42

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1290334

Name:
2-((1-(3-nitrophenylsulfonyl)-1H-indol-3-yl)methyl
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Mol. Formula:
C16H14N6O4S

M.W.:
386.39

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
156.47

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1290333

Name:
2-((1-tosyl-1H-indol-3-yl)methylene)hydrazinecarbo
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Mol. Formula:
C17H17N5O2S

M.W.:
355.42

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1290220

Name:
2-((1-(phenylsulfonyl)-1H-indol-3-yl)methylene)hyd
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Mol. Formula:
C16H15N5O2S

M.W.:
341.40

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1289469

Name:
2-(1-(6-methyl-1-tosyl-1H-indol-3-yl)hexylidene)hy
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Mol. Formula:
C23H29N5O2S

M.W.:
439.59

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1289353

Name:
2-(1-(6-methyl-1-(3-nitrophenylsulfonyl)-1H-indol-
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Mol. Formula:
C18H18N6O4S

M.W.:
414.45

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
156.47

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1289352

Name:
2-(1-(1-(4-methoxyphenylsulfonyl)-6-methyl-1H-indo
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Mol. Formula:
C19H21N5O3S

M.W.:
399.48

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
122.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1289237

Name:
2-(1-(4-methyl-1-tosyl-1H-indol-3-yl)ethylidene)hy
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Mol. Formula:
C19H21N5O2S

M.W.:
383.48

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1289236

Name:
2-(1-(4-methyl-1-(phenylsulfonyl)-1H-indol-3-yl)et
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Mol. Formula:
C18H19N5O2S

M.W.:
369.45

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1289118

Name:
2-(1-(1-(phenylsulfonyl)-1H-indol-3-yl)hexylidene)
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Mol. Formula:
C21H25N5O2S

M.W.:
411.53

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1289117

Name:
2-(1-(1-(phenylsulfonyl)-1H-indol-3-yl)propylidene
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Mol. Formula:
C18H19N5O2S

M.W.:
369.45

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
113.33

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS