Compounds

ALA72198

Name:
(R)-2-(3-Fluoro-phenoxymethyl)-pyrrolidine

Mol. Formula:
C11H14FNO

M.W.:
195.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA72197

Name:
(R)-2-(3-Fluoro-phenoxymethyl)-1-methyl-pyrrolidine

Mol. Formula:
C12H16FNO

M.W.:
209.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA73381

Name:
(S)-2-(3-Chloro-phenoxymethyl)-1-methyl-pyrrolidine

Mol. Formula:
C12H16ClNO

M.W.:
225.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA74249

Name:
(S)-2-(3-Fluoro-phenoxymethyl)-1-methyl-pyrrolidine

Mol. Formula:
C12H16FNO

M.W.:
209.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA75277

Name:
3-((S)-1-Pyrrolidin-2-ylmethoxy)-benzonitrile

Mol. Formula:
C12H14N2O

M.W.:
202.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
45.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA75575

Name:
7-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-quinoline

Mol. Formula:
C15H18N2O

M.W.:
242.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
25.36

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA73287

Name:
(S)-2-(Naphthalen-1-yloxymethyl)-pyrrolidine

Mol. Formula:
C15H17NO

M.W.:
227.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA309589

Name:
(S)-1-Methyl-2-(naphthalen-1-yloxymethyl)-pyrrolidine

Mol. Formula:
C16H19NO

M.W.:
241.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

(S)-(+)-2-(Anilinomethyl)pyrrolidine

Name:
Phenyl-(S)-1-pyrrolidin-2-ylmethyl-amine

Mol. Formula:
C11H16N2

M.W.:
176.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.85

Polar Surface Area:
24.06

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA73294

Name:
(S)-2-(3,4-Difluoro-phenoxymethyl)-pyrrolidine

Mol. Formula:
C11H13F2NO

M.W.:
213.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA73293

Name:
(S)-2-(3,4-Difluoro-phenoxymethyl)-1-methyl-pyrrolidine

Mol. Formula:
C12H15F2NO

M.W.:
227.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA73141

Name:
(S)-2-(3,5-Difluoro-phenoxymethyl)-pyrrolidine

Mol. Formula:
C11H13F2NO

M.W.:
213.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA74984

Name:
(S)-2-(3-Fluoro-phenylsulfanylmethyl)-1-methyl-pyrrolidine

Mol. Formula:
C12H16FNS

M.W.:
225.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA305674

Name:
(S)-2-(3-Fluoro-phenoxymethyl)-azetidine

Mol. Formula:
C10H12FNO

M.W.:
181.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA76321

Name:
(S)-1-Methyl-2-(3-trifluoromethyl-phenoxymethyl)-pyrrolidine

Mol. Formula:
C13H16F3NO

M.W.:
259.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA76268

Name:
(S)-2-(3-Methoxy-phenoxymethyl)-pyrrolidine

Mol. Formula:
C12H17NO2

M.W.:
207.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA305820

Name:
(S)-2-(3-Methoxy-phenoxymethyl)-1-methyl-pyrrolidine

Mol. Formula:
C13H19NO2

M.W.:
221.30

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA75446

Name:
(S)-1-Methyl-2-phenoxymethyl-azetidine

Mol. Formula:
C11H15NO

M.W.:
177.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA306594

Name:
(S)-2-(3-Trifluoromethyl-phenoxymethyl)-pyrrolidine

Mol. Formula:
C12H14F3NO

M.W.:
245.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA73657

Name:
(S)-2-(4-Chloro-phenoxymethyl)-1-methyl-pyrrolidine

Mol. Formula:
C12H16ClNO

M.W.:
225.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS