Compounds

Type:
---

AlogP:
4.40

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5207267

Name:
Exo-2-(3,4-dichlorophenyl)-1-((6S)-6-(pyrrolidin-1-yl)-1,4-diazabicyclo[3.3Show More⌵

Mol. Formula:
C19H25Cl2N3O

M.W.:
382.34

Type:
---

AlogP:
2.92

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5200869

Name:
Exo-2-(3,4-dichlorophenyl)-1-((7S)-7-(pyrrolidin-1-yl)-2-azabicyclo[3.2.1]oShow More⌵

Mol. Formula:
C19H24Cl2N2O

M.W.:
367.32

Type:
---

AlogP:
4.01

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5196638

Name:
Endo-2-(3,4-dichlorophenyl)-1-((6R)-6-(pyrrolidin-1-yl)-1,4-diazabicyclo[3.Show More⌵

Mol. Formula:
C19H25Cl2N3O

M.W.:
382.34

Type:
---

AlogP:
2.92

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5175676

Name:
Endo-2-(3,4-dichlorophenyl)-1-((7R)-7-(pyrrolidin-1-yl)-2-azabicyclo[3.2.1]Show More⌵

Mol. Formula:
C19H24Cl2N2O

M.W.:
367.32

Type:
---

AlogP:
4.01

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4296723

Name:
6,7-Didehydro-17-(4-methoxybutyl)quinolino[2',3':6,7]morphinan-3,14beta-dioShow More⌵

Mol. Formula:
C28H34Cl2N2O3

M.W.:
517.50

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
65.82

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4208346

Name:
Methyl 4-(2-(3,4-dichlorophenyl)acetamido)-3-((R)-1-(pyrrolidin-1-yl)ethyl)Show More⌵

Mol. Formula:
C21H29Cl2N3O3

M.W.:
442.39

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4102093

Name:
(2R,6R,11R)-3-(2-Methoxy-2-phenylethyl)-6,11-dimethyl-1,2,3,4,5,6-hexahydroShow More⌵

Mol. Formula:
C23H29NO2

M.W.:
351.49

31 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4096405

Name:
2-(4-Chlorophenyl)-1-((4aS,8S,8aR)-8-((S)-3-hydroxypyrrolidin-1-yl)-4-((isoShow More⌵

Mol. Formula:
C24H31ClN4O5S

M.W.:
523.06

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
107.19

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4095192

Name:
(4aR,5S,8aS)-Methyl 4-(2-(3,4-Dichlorophenyl)acetyl)-5-((S)-3-hydroxypyrrolShow More⌵

Mol. Formula:
C22H29Cl2N3O4

M.W.:
470.40

14 activity values

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
73.32

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4092100

Name:
(4aR,5S,8aS)-Methyl 4-(2-(3-Chlorophenyl)acetyl)-5-((S)-3-hydroxypyrrolidinShow More⌵

Mol. Formula:
C22H30ClN3O4

M.W.:
435.95

13 activity values

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
73.32

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4091184

Name:
(4aR,5S,8aS)-Methyl 4-(2-(4-Chlorophenyl)acetyl)-5-((S)-3-hydroxypyrrolidinShow More⌵

Mol. Formula:
C22H30ClN3O4

M.W.:
435.95

15 activity values

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
73.32

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4083401

Name:
(4aR,5S,8aS)-Methyl 4-(2-(4-Chloro-3-fluorophenyl)acetyl)-5-((S)-3-hydroxypShow More⌵

Mol. Formula:
C22H29ClFN3O4

M.W.:
453.94

16 activity values

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
73.32

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4077833

Name:
(2R,6R,11R)-3-(2-Hydroxy-2-phenylpropyl)-6,11-dimethyl-1,2,3,4,5,6-hexahydrShow More⌵

Mol. Formula:
C23H29NO2

M.W.:
351.49

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4072972

Name:
Methyl 2-((4aR,5S,8aS)-4-(2-(3,4-Dichlorophenyl)acetyl)-5-(pyrrolidin-1-yl)Show More⌵

Mol. Formula:
C23H31Cl2N3O3

M.W.:
468.43

10 activity values

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4069231

Name:
2-(3,4-Dichlorophenyl)-1-((4aS,8S,8aS)-8-(pyrrolidin-1-yl)-octahydroquinoxaShow More⌵

Mol. Formula:
C20H27Cl2N3O

M.W.:
396.36

39 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4069149

Name:
2-(4-Chloro-3-fluorophenyl)-1-((4aS,8S,8aR)-8-((S)-3-hydroxypyrrolidin-1-ylShow More⌵

Mol. Formula:
C24H30ClFN4O5S

M.W.:
541.05

9 activity values

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
107.19

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4064380

Name:
(4aR,5S,8aS)-Methyl 4-(2-(3-Chloro-4-(trifluoromethyl)phenyl)-acetyl)-5-((SShow More⌵

Mol. Formula:
C23H29ClF3N3O4

M.W.:
503.95

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
73.32

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4061582

Name:
(4aR,5S,8aS)-Methyl 4-(2-(3-Chloro-4-fluorophenyl)acetyl)-5-((S)-3-hydroxypShow More⌵

Mol. Formula:
C22H29ClFN3O4

M.W.:
453.94

13 activity values