Compounds

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2071658

Name:
1-bromonaphthalen-2-yl isopropylcarbamate

Mol. Formula:
C14H14BrNO2

M.W.:
308.18

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2071657

Name:
1-bromonaphthalen-2-yl butylcarbamate

Mol. Formula:
C15H16BrNO2

M.W.:
322.20

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2071656

Name:
1-bromonaphthalen-2-yl azetidine-1-carboxylate

Mol. Formula:
C14H12BrNO2

M.W.:
306.16

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2071655

Name:
6-bromo-1-chloronaphthalen-2-yl dimethylcarbamate

Mol. Formula:
C13H11BrClNO2

M.W.:
328.59

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2071654

Name:
1-chloro-6-propylnaphthalen-2-yl dimethylcarbamate

Mol. Formula:
C16H18ClNO2

M.W.:
291.78

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2071653

Name:
1-chloro-6-cyanonaphthalen-2-yl dimethylcarbamate

Mol. Formula:
C14H11ClN2O2

M.W.:
274.71

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
53.33

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2071649

Name:
1-bromo-6-(4-phenylpiperazine-1-carbonyl)naphthalen-2-yl dimethylcarbamate

Mol. Formula:
C24H24BrN3O3

M.W.:
482.38

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
53.09

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2071648

Name:
1-bromo-6-(dimethylcarbamoyl)naphthalen-2-yl dimethylcarbamate

Mol. Formula:
C16H17BrN2O3

M.W.:
365.23

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2071647

Name:
1-bromo-6-(phenylcarbamoyl)naphthalen-2-yl dimethylcarbamate

Mol. Formula:
C20H17BrN2O3

M.W.:
413.27

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2071646

Name:
1-bromo-6-(cycloheptylcarbamoyl)naphthalen-2-yl dimethylcarbamate

Mol. Formula:
C21H25BrN2O3

M.W.:
433.35

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2071645

Name:
1-bromo-6-(cyclopentylcarbamoyl)naphthalen-2-yl dimethylcarbamate

Mol. Formula:
C19H21BrN2O3

M.W.:
405.29

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2071644

Name:
1-bromo-6-(cyclopropylcarbamoyl)naphthalen-2-yl dimethylcarbamate

Mol. Formula:
C17H17BrN2O3

M.W.:
377.24

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2071643

Name:
1-bromo-6-(heptylcarbamoyl)naphthalen-2-yl dimethylcarbamate

Mol. Formula:
C21H27BrN2O3

M.W.:
435.36

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2071642

Name:
1-bromo-6-(methylcarbamoyl)naphthalen-2-yl dimethylcarbamate

Mol. Formula:
C15H15BrN2O3

M.W.:
351.20

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2071641

Name:
1-iodonaphthalen-2-yl dimethylcarbamate

Mol. Formula:
C13H12INO2

M.W.:
341.15

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2071640

Name:
1-nitronaphthalen-2-yl dimethylcarbamate

Mol. Formula:
C13H12N2O4

M.W.:
260.25

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
72.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2071639

Name:
1-cyanonaphthalen-2-yl dimethylcarbamate

Mol. Formula:
C14H12N2O2

M.W.:
240.26

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
53.33

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2069331

Name:
methyl 2-(dimethylcarbamoyloxy)-1-naphthoate

Mol. Formula:
C15H15NO4

M.W.:
273.29

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
55.84

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2071638

Name:
1-acetylnaphthalen-2-yl dimethylcarbamate

Mol. Formula:
C15H15NO3

M.W.:
257.29