Compounds

ALA2235136

Name:
(2-(2-fluorophenyl)ethylidene)hydrazine

Mol. Formula:
C8H9FN2

M.W.:
152.17

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.39

DETAILS

ALA2235135

Name:
(2-(2-chlorophenyl)ethylidene)hydrazine

Mol. Formula:
C8H9ClN2

M.W.:
168.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.41

DETAILS

ALA2235134

Name:
(2-(2-methoxyphenyl)ethylidene)hydrazine

Mol. Formula:
C9H12N2O

M.W.:
164.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
47.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.41

DETAILS

ALA2235133

Name:
(2-o-tolylethylidene)hydrazine

Mol. Formula:
C9H12N2

M.W.:
148.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.38

DETAILS

ALA2235132

Name:
beta-phenylethylidene hydrazine

Mol. Formula:
C8H10N2

M.W.:
134.18

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.37

DETAILS

ALA2235131

Name:
(2-(2,4-dichlorophenyl)ethylidene)hydrazine

Mol. Formula:
C8H8Cl2N2

M.W.:
203.07

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

ALA2235130

Name:
(2-(4-(trifluoromethyl)phenyl)ethylidene)hydrazine

Mol. Formula:
C9H9F3N2

M.W.:
202.18

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

ALA2235129

Name:
(2-(4-fluorophenyl)ethylidene)hydrazine

Mol. Formula:
C8H9FN2

M.W.:
152.17

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.39

DETAILS

ALA2235128

Name:
(2-(4-chlorophenyl)ethylidene)hydrazine

Mol. Formula:
C8H9ClN2

M.W.:
168.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.41

DETAILS

ALA2235127

Name:
(2-(4-methoxyphenyl)ethylidene)hydrazine

Mol. Formula:
C9H12N2O

M.W.:
164.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
47.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.41

DETAILS

ALA2235126

Name:
(2-p-tolylethylidene)hydrazine

Mol. Formula:
C9H12N2

M.W.:
148.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.38

DETAILS

ALA2235125

Name:
(2-(3-(trifluoromethyl)phenyl)ethylidene)hydrazine

Mol. Formula:
C9H9F3N2

M.W.:
202.18

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

ALA2235124

Name:
(2-(3-fluorophenyl)ethylidene)hydrazine

Mol. Formula:
C8H9FN2

M.W.:
152.17

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.39

DETAILS

ALA2235123

Name:
(2-(3-chlorophenyl)ethylidene)hydrazine

Mol. Formula:
C8H9ClN2

M.W.:
168.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.41

DETAILS

ALA2235122

Name:
(2-(3-methoxyphenyl)ethylidene)hydrazine

Mol. Formula:
C9H12N2O

M.W.:
164.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
47.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.41

DETAILS

ALA2235121

Name:
(2-m-tolylethylidene)hydrazine

Mol. Formula:
C9H12N2

M.W.:
148.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.38

DETAILS

ALA2235120

Name:
(2-(2-(trifluoromethyl)phenyl)ethylidene)hydrazine

Mol. Formula:
C9H9F3N2

M.W.:
202.18

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

3-(Aminomethyl)benzoic acid, HCl

Name:
3-(aminomethyl)benzoic acid hydrochloride

Mol. Formula:
C8H10ClNO2

M.W.:
187.63

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA535865

Name:
2-(3-aminophenyl)acetic acid hydrochloride

Mol. Formula:
C8H10ClNO2

M.W.:
187.63

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.90

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA535644

Name:
2-(2-(aminomethyl)phenyl)acetic acid hydrochloride

Mol. Formula:
C9H12ClNO2

M.W.:
201.65

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS