Compounds

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2112409

Name:
5-[4-Methoxy-3-(octahydro-4,7-methano-inden-5-ylox
Show More⌵

Mol. Formula:
C21H28N2O3

M.W.:
356.47

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2112408

Name:
5-[3-(Bicyclo[2.2.1]hept-2-yloxy)-4-methoxy-phenyl
Show More⌵

Mol. Formula:
C18H24N2O3

M.W.:
316.40

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2111611

Name:
5-[3-(Bicyclo[2.2.1]hept-2-yloxy)-4-methoxy-phenyl
Show More⌵

Mol. Formula:
C18H24N2O3

M.W.:
316.40

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2111610

Name:
5-[4-Methoxy-3-(octahydro-4,7-methano-inden-5-ylox
Show More⌵

Mol. Formula:
C21H28N2O3

M.W.:
356.47

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2111609

Name:
5-[4-Methoxy-3-(1,2,3,4-tetrahydro-1,4-methano-nap
Show More⌵

Mol. Formula:
C22H24N2O3

M.W.:
364.45

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA354430

Name:
2-(4-Fluoro-phenoxy)-N-(4-methyl-benzyl)-nicotinam
Show More⌵

Mol. Formula:
C20H17FN2O2

M.W.:
336.37

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA170122

Name:
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotina
Show More⌵

Mol. Formula:
C20H17FN2O3

M.W.:
352.37

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA352655

Name:
N-Benzyl-2-(3,4-dichloro-phenoxy)-nicotinamide

Mol. Formula:
C19H14Cl2N2O2

M.W.:
373.24

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA171394

Name:
N-Benzyl-2-(3-fluoro-phenoxy)-nicotinamide

Mol. Formula:
C19H15FN2O2

M.W.:
322.34

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA423073

Name:
N-Benzyl-2-(3-methoxy-phenoxy)-nicotinamide

Mol. Formula:
C20H18N2O3

M.W.:
334.38

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA169474

Name:
2-(4-Fluoro-phenoxy)-N-isopropyl-nicotinamide

Mol. Formula:
C15H15FN2O2

M.W.:
274.30

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA168121

Name:
N-Benzyl-2-(3-trifluoromethyl-phenoxy)-nicotinamid
Show More⌵

Mol. Formula:
C20H15F3N2O2

M.W.:
372.35

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA353878

Name:
N-Benzyl-2-(4-methoxy-phenoxy)-nicotinamide

Mol. Formula:
C20H18N2O3

M.W.:
334.38

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA353471

Name:
N-Benzyl-2-(2-methoxy-phenoxy)-nicotinamide

Mol. Formula:
C20H18N2O3

M.W.:
334.38

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA169911

Name:
N-(4-Fluoro-benzyl)-2-(4-fluoro-phenoxy)-nicotinam
Show More⌵

Mol. Formula:
C19H14F2N2O2

M.W.:
340.33

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA171141

Name:
N-Benzyl-2-(bicyclo[2.2.1]hept-2-yloxy)-nicotinami
Show More⌵

Mol. Formula:
C20H22N2O2

M.W.:
322.41

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA169269

Name:
N-Benzyl-2-(3-cyano-phenoxy)-nicotinamide

Mol. Formula:
C20H15N3O2

M.W.:
329.36

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
75.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA169676

Name:
N-Benzyl-2-(2-fluoro-phenoxy)-nicotinamide

Mol. Formula:
C19H15FN2O2

M.W.:
322.34

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA169003

Name:
N-Benzyl-2-(4-fluoro-phenoxy)-nicotinamide

Mol. Formula:
C19H15FN2O2

M.W.:
322.34