Compounds

ALA2229163

Name:
Carabryl Nicotinate

Mol. Formula:
C21H25NO4

M.W.:
355.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
65.49

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2229162

Name:
Carabryl alpha-Naphthylacetate

Mol. Formula:
C27H30O4

M.W.:
418.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2229161

Name:
Carabryl alpha-Naphthylcarboxylate

Mol. Formula:
C26H28O4

M.W.:
404.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2229160

Name:
Carabryl 3-(3,4-Dimethoxyphenyl)acrylate

Mol. Formula:
C26H32O6

M.W.:
440.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2229159

Name:
Carabryl 3-(4-Nitrophenyl)acrylate

Mol. Formula:
C24H27NO6

M.W.:
425.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
95.74

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2229158

Name:
Carabryl 3-Phenylacrylate

Mol. Formula:
C24H28O4

M.W.:
380.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2229157

Name:
Carabryl 4-Isopropylbenzoate

Mol. Formula:
C25H32O4

M.W.:
396.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2229156

Name:
Carabryl 3-Phenylpropanoate

Mol. Formula:
C24H30O4

M.W.:
382.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2229155

Name:
Carabryl 4-Bromophenylacetate

Mol. Formula:
C23H27BrO4

M.W.:
447.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2229154

Name:
Carabryl 2-Ethoxybenzoate

Mol. Formula:
C24H30O5

M.W.:
398.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2229153

Name:
Carabryl 3,4-Dimethoxybenzoate

Mol. Formula:
C24H30O6

M.W.:
414.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2229152

Name:
Carabryl 2,3-Dimethoxybenzoate

Mol. Formula:
C24H30O6

M.W.:
414.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2229151

Name:
Carabryl 4-Methoxybenzoate

Mol. Formula:
C23H28O5

M.W.:
384.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2229150

Name:
Carabryl 3-Methoxybenzoate

Mol. Formula:
C23H28O5

M.W.:
384.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2229149

Name:
Carabryl 2-Methoxybenzoate

Mol. Formula:
C23H28O5

M.W.:
384.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2229148

Name:
Carabryl 2-Methylbenzoate

Mol. Formula:
C23H28O4

M.W.:
368.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2229147

Name:
Carabryl 4-Cyanobenzoate

Mol. Formula:
C23H25NO4

M.W.:
379.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
76.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2229146

Name:
Carabryl 4-Iodobenzoate

Mol. Formula:
C22H25IO4

M.W.:
480.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2229145

Name:
Carabryl 2-Iodobenzoate

Mol. Formula:
C22H25IO4

M.W.:
480.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2227694

Name:
Carabryl 4-Bromobenzoate

Mol. Formula:
C22H25BrO4

M.W.:
433.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS