Compounds

ALA2272697

Name:
4-ethyl-3-(3-fluorophenyl)-1-phenylpyrrolidin-2-one

Mol. Formula:
C18H18FNO

M.W.:
283.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2272696

Name:
4-ethyl-3-(3-fluorophenyl)-1-(3-(trifluoromethyl)phenyl)pyrrolidin-2-one

Mol. Formula:
C19H17F4NO

M.W.:
351.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2270632

Name:
(2S,5R)-5-methyl-2-(3-(trifluoromethyl)benzyl)morpholin-3-one

Mol. Formula:
C13H14F3NO2

M.W.:
273.25

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA2270631

Name:
trans-(2R),(5S)-5-methyl-2-(3-trifluoromethylbenzyl)-3-ketomorpholine

Mol. Formula:
C13H14F3NO2

M.W.:
273.25

10 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA2270630

Name:
rac-4-methyl-2-(3-(trifluoromethyl)phenyl)morpholin-3-one

Mol. Formula:
C12H12F3NO2

M.W.:
259.23

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2270629

Name:
rac-2-(3-(trifluoromethyl)phenylthio)morpholin-3-one

Mol. Formula:
C11H10F3NO2S

M.W.:
277.27

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
38.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA2270628

Name:
rac-2-(3-(trifluoromethyl)benzyl)morpholin-3-one

Mol. Formula:
C12H12F3NO2

M.W.:
259.23

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA2270627

Name:
cis-(2S,5S)-5-methyl-2-(3-(trifluoromethyl)benzyl)morpholin-3-one

Mol. Formula:
C13H14F3NO2

M.W.:
273.25

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA2270625

Name:
rac-2-(3-(trifluoromethyl)benzylthio)morpholin-3-one

Mol. Formula:
C12H12F3NO2S

M.W.:
291.29

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
38.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.93

DETAILS