Compounds

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
135.43

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4646991

Name:
(S)-5-Methyl-3-((S)-3-methyl-2-(4-(phenyldiazenyl)phenylsulfonamido)butanamShow More⌵

Mol. Formula:
C24H31N5O5S

M.W.:
501.61

7 activity values

5 unique targets

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
160.15

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4642290

Name:
(S)-3-Methyl-N-((S)-4-methyl-1-oxopentan-2-yl)-2-(4-(phenyldiazenyl)phenyl-Show More⌵

Mol. Formula:
C23H30N4O4S

M.W.:
458.58

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
117.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4642092

Name:
(S)-3-Methyl-N-((S)-4-methyl-1-oxopentan-2-yl)-2-(4-styrylphenylsulfonamidoShow More⌵

Mol. Formula:
C25H32N2O4S

M.W.:
456.61

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4640485

Name:
(S)-N-((S)-4-Methyl-1-oxopentan-2-yl)-1-(4-(phenyldiazenyl)phenylsulfonyl)-Show More⌵

Mol. Formula:
C23H28N4O4S

M.W.:
456.57

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
108.27

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4293475

Name:
2-(6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylthio)-N-(3-(trifluoShow More⌵

Mol. Formula:
C19H13F3N6OS

M.W.:
430.42

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
85.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4292426

Name:
N-(3-(3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)phenyl)Show More⌵

Mol. Formula:
C27H25F3N4O4

M.W.:
526.52

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
87.50

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4292194

Name:
N-(3-(2-oxopyrrolidin-1-yl)phenyl)-3-(trifluoromethyl)benzenesulfonamide

Mol. Formula:
C17H15F3N2O3S

M.W.:
384.38

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4290657

Name:
6-(pyridin-2-yl)-3-(3-(trifluoromethyl)benzylthio)-[1,2,4]triazolo[4,3-b]pyShow More⌵

Mol. Formula:
C18H12F3N5S

M.W.:
387.39

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
55.97

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4289886

Name:
6-(pyridin-2-yl)-3-(4-(trifluoromethyl)benzylthio)-[1,2,4]triazolo[4,3-b]pyShow More⌵

Mol. Formula:
C18H12F3N5S

M.W.:
387.39

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
55.97

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4288775

Name:
2-(azepan-1-yl)-5-(4-fluorophenylsulfonamido)nicotinic acid

Mol. Formula:
C18H20FN3O4S

M.W.:
393.44

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
99.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4284284

Name:
3-(3-(trifluoromethyl)phenylsulfonamido)benzamide

Mol. Formula:
C14H11F3N2O3S

M.W.:
344.31

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
89.26

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4281799

Name:
N-(4-(3-(2-methoxyethoxy)-5-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-Show More⌵

Mol. Formula:
C22H23F3N4O3

M.W.:
448.45

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
78.27

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4280881

Name:
N-(4-hydroxycyclohexyl)-4-(N-(3-(trifluoromethyl)phenyl)sulfamoyl)benzamide

Mol. Formula:
C20H21F3N2O4S

M.W.:
442.46

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3221947

Name:
(Z)-3-(7-iodo-1H-indol-3-yl)-2-mercaptoacrylic acid

Mol. Formula:
C11H8INO2S

M.W.:
345.16

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
53.09

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3221946

Name:
(Z)-3-(7-bromo-1H-indol-3-yl)-2-mercaptoacrylic acid

Mol. Formula:
C11H8BrNO2S

M.W.:
298.16

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
53.09

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3221945

Name:
(Z)-3-(7-chloro-1H-indol-3-yl)-2-mercaptoacrylic acid

Mol. Formula:
C11H8ClNO2S

M.W.:
253.71

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
53.09

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3221944

Name:
(Z)-3-(7-fluoro-1H-indol-3-yl)-2-mercaptoacrylic acid

Mol. Formula:
C11H8FNO2S

M.W.:
237.25

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
53.09

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.56

DETAILS

ALA3221943

Name:
(Z)-3-(6-iodo-1H-indol-3-yl)-2-mercaptoacrylic acid

Mol. Formula:
C11H8INO2S

M.W.:
345.16

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
53.09

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3221942

Name:
(Z)-3-(6-bromo-1H-indol-3-yl)-2-mercaptoacrylic acid

Mol. Formula:
C11H8BrNO2S

M.W.:
298.16