Compounds

ALA5272689

Name:
2-(7-(3,4-difluorobenzyl)-2,7-diazaspiro[4.5]decan-2-yl)-N-(4-fluoro-3-methShow More⌵

Mol. Formula:
C24H28F3N3O

M.W.:
431.50

Type:
---

AlogP:
4.34

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5272393

Name:
2-(1-(3,4-difluorobenzyl)-1,8-diazaspiro[4.5]decan-8-yl)-N-(4-fluoro-3-methShow More⌵

Mol. Formula:
C24H28F3N3O

M.W.:
431.50

Type:
---

AlogP:
4.48

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5272035

Name:
2-((5-(3-(4-cyclohexylpiperazin-1-yl)propyl)-5,6,7,8-tetrahydronaphthalen-1Show More⌵

Mol. Formula:
C33H44N4O3

M.W.:
544.74

Type:
---

AlogP:
5.49

Polar Surface Area:
56.33

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5270836

Name:
(S)-4-((6-chloro-1H-indol-2-yl)methyl)-2-(((4-methylthiazol-2-yl)oxy)methylShow More⌵

Mol. Formula:
C18H20ClN3O2S

M.W.:
377.90

Type:
---

AlogP:
3.87

Polar Surface Area:
50.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5270824

Name:
(S)-2-((3,4-difluorophenoxy)methyl)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morShow More⌵

Mol. Formula:
C19H19F2N3O2

M.W.:
359.38

Type:
---

AlogP:
2.89

Polar Surface Area:
39.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5270434

Name:
(+)-Pentazocine

Mol. Formula:
C18H25NO

M.W.:
271.40

Type:
---

AlogP:
3.84

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5269586

Name:
2-((1-(3,4-difluorobenzyl)-1,7-diazaspiro[4.4]nonan-7-yl)methyl)imidazo[1,2Show More⌵

Mol. Formula:
C22H24F2N4

M.W.:
382.46

Type:
---

AlogP:
3.85

Polar Surface Area:
23.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5269361

Name:
(S)-4-((1H-benzo[d]imidazol-5-yl)methyl)-2-((3,4-difluorophenoxy)methyl)morShow More⌵

Mol. Formula:
C19H19F2N3O2

M.W.:
359.38

Type:
---

AlogP:
3.12

Polar Surface Area:
50.38

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5282085

Name:
(S)-2-((3,4-difluorophenoxy)methyl)-4-((1-methyl-1H-indazol-5-yl)methyl)morShow More⌵

Mol. Formula:
C20H21F2N3O2

M.W.:
373.40

Type:
---

AlogP:
3.13

Polar Surface Area:
39.52

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5280960

Name:
2-((4-((6-methylpyridin-2-yl)methoxy)piperidin-1-yl)methyl)imidazo[1,2-a]pyShow More⌵

Mol. Formula:
C20H24N4O

M.W.:
336.44

Type:
---

AlogP:
3.22

Polar Surface Area:
42.66

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5280610

Name:

Mol. Formula:
C26H31NO3

M.W.:
405.54

Type:
---

AlogP:
4.05

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5279686

Name:
(S)-4-((1-methyl-1H-indazol-5-yl)methyl)-2-(((4-methylthiazol-2-yl)oxy)methShow More⌵

Mol. Formula:
C18H22N4O2S

M.W.:
358.47

Type:
---

AlogP:
2.62

Polar Surface Area:
52.41

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279538

Name:

Mol. Formula:
C19H27NO

M.W.:
285.43

Type:
---

AlogP:
3.88

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5276035

Name:

Mol. Formula:
C26H31NO3

M.W.:
405.54

Type:
---

AlogP:
4.05

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5274616

Name:
3-(1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyriShow More⌵

Mol. Formula:
C21H23N3

M.W.:
317.44

Type:
---

AlogP:
4.28

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5274285

Name:
6-chloro-2-((1-(3,4-difluorobenzyl)-1,7-diazaspiro[4.4]nonan-7-yl)methyl)-1Show More⌵

Mol. Formula:
C23H24ClF2N3

M.W.:
415.92

Type:
---

AlogP:
5.34

Polar Surface Area:
22.27

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5274252

Name:

Mol. Formula:
C26H30ClNO3

M.W.:
439.98

Type:
---

AlogP:
4.70

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5273358

Name:
(S)-6-(((1-hydroxy-2-methyl-1-phenylpropan-2-yl)amino)methyl)-1-methyl-3,4-Show More⌵

Mol. Formula:
C21H26N2O2

M.W.:
338.45

Type:
---

AlogP:
3.20

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5272845

Name:
N-(2-(diethylamino)ethyl)-3-iodo-4-methoxybenzamide

Mol. Formula:
C14H21IN2O2

M.W.:
372.24

Type:
---

AlogP:
2.37

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5286047

Name:
(S)-1-methyl-5-((3-((2-methylbenzyl)oxy)piperidin-1-yl)methyl)-1H-indazole

Mol. Formula:
C22H27N3O

M.W.:
349.48

Type:
---

AlogP:
4.06

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS