Compounds

ALA4218696

Name:
N'-(3,5-dichlorophenyl)-2-(4-(morpholinomethyl)phenyl)-2-oxoacetohydrazonoyShow More⌵

Mol. Formula:
C20H18Cl2N4O2

M.W.:
417.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
77.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4217870

Name:
N'-(3,5-dichlorophenyl)-2-oxo-2-(4-(trifluoromethoxy)phenyl)acetohydrazonoyShow More⌵

Mol. Formula:
C16H8Cl2F3N3O2

M.W.:
402.16

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
74.48

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4217436

Name:
2-(4-tert-butylphenyl)-N'-(3-chloro-5-(trifluoromethyl)phenyl)-2-oxoacetohyShow More⌵

Mol. Formula:
C20H17ClF3N3O

M.W.:
407.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4217273

Name:
N'-(3,5-dichlorophenyl)-2-oxo-2-(quinolin-6-yl)acetohydrazonoyl cyanide

Mol. Formula:
C18H10Cl2N4O

M.W.:
369.21

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
78.14

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4215769

Name:
2-(4-tert-butylphenyl)-N'-(3-chlorophenyl)-2-oxoacetohydrazonoyl cyanide

Mol. Formula:
C19H18ClN3O

M.W.:
339.83

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4215455

Name:
2-(4-tert-butylphenyl)-2-oxo-N'-(3,4,5-trifluorophenyl)acetohydrazonoyl cyaShow More⌵

Mol. Formula:
C19H16F3N3O

M.W.:
359.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4215366

Name:
2-(4-chlorophenyl)-N'-(3,5-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide

Mol. Formula:
C15H8Cl3N3O

M.W.:
352.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4214692

Name:
N'-(3,5-dichlorophenyl)-2-(naphthalen-2-yl)-2-oxoacetohydrazonoyl cyanide

Mol. Formula:
C19H11Cl2N3O

M.W.:
368.22

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4214491

Name:
2-(4-tert-butylphenyl)-N'-(3-chloro-4-fluorophenyl)-2-oxoacetohydrazonoyl cShow More⌵

Mol. Formula:
C19H17ClFN3O

M.W.:
357.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4213611

Name:
N'-(3,5-dichlorophenyl)-2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetohydShow More⌵

Mol. Formula:
C19H15Cl2N3O

M.W.:
372.26

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4212609

Name:
2-(4-tert-butylphenyl)-N'-(3-chloro-4-(trifluoromethyl)phenyl)-2-oxoacetohyShow More⌵

Mol. Formula:
C20H17ClF3N3O

M.W.:
407.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4210825

Name:
2-(4-tert-butylphenyl)-N'-(3,5-dichlorophenyl)-2-oxoacetohydrazonoyl cyanidShow More⌵

Mol. Formula:
C19H17Cl2N3O

M.W.:
374.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4209871

Name:
methyl 4-(2-cyano-2-(2-(3,5-dichlorophenyl)hydrazono)acetyl)benzoate

Mol. Formula:
C17H11Cl2N3O3

M.W.:
376.20

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
91.55

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4209582

Name:
2-(4-tert-butylphenyl)-N'-(3-chloro-5-fluorophenyl)-2-oxoacetohydrazonoyl cShow More⌵

Mol. Formula:
C19H17ClFN3O

M.W.:
357.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4209371

Name:
2-(biphenyl-4-yl)-N'-(3,5-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide

Mol. Formula:
C21H13Cl2N3O

M.W.:
394.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4207208

Name:
N'-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-2-oxoacetohydrazonoyl cyaniShow More⌵

Mol. Formula:
C17H13Cl2N3O3

M.W.:
378.21

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
83.71

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4206634

Name:
2-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide

Mol. Formula:
C15H8Cl3N3O

M.W.:
352.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4205731

Name:
2-(4-tert-butylphenyl)-N'-(4-chloro-3-(trifluoromethyl)phenyl)-2-oxoacetohyShow More⌵

Mol. Formula:
C20H17ClF3N3O

M.W.:
407.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4205201

Name:
N'-(3,5-bis(trifluoromethyl)phenyl)-2-(4-tert-butylphenyl)-2-oxoacetohydrazShow More⌵

Mol. Formula:
C21H17F6N3O

M.W.:
441.38

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.20

Polar Surface Area:
65.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4204114

Name:
N'-(3,5-dichlorophenyl)-2-oxo-2-(4-(piperidin-1-ylmethyl)phenyl)acetohydrazShow More⌵

Mol. Formula:
C21H20Cl2N4O

M.W.:
415.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
68.49

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS