Compounds

ALA5205864

Name:
1-(2-(((1,2-bis(4-fluorophenyl)ethylidene)amino)oxy)ethyl)piperidine-3-carbShow More⌵

Mol. Formula:
C22H25ClF2N2O3

M.W.:
438.90

2 activity values

2 unique targets

Type:
---

AlogP:
3.72

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3417720

Name:
4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid

Mol. Formula:
C14H24N2O4

M.W.:
284.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.81

Polar Surface Area:
101.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3417719

Name:
2-amino-3-(naphthalen-1-ylmethylthio)propanoic acid

Mol. Formula:
C14H15NO2S

M.W.:
261.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3417718

Name:
3-(4-(4-bromo-3-methylphenylsulfonyl)piperazin-1-yl)propanoic acid

Mol. Formula:
C14H19BrN2O4S

M.W.:
391.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.54

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3417717

Name:
(2S)-1-(2-((4-fluorophenyl)(thiophen-2-yl)methylamino)-2-oxoethyl)pyrrolidiShow More⌵

Mol. Formula:
C18H19FN2O3S

M.W.:
362.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
69.64

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3417716

Name:
2-(((1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)methyl)(methyl)amino)pShow More⌵

Mol. Formula:
C17H22ClN3O2

M.W.:
335.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3417715

Name:
1-(3-bromo-5-fluorobenzyl)-3-(1H-tetrazol-5-yl)piperidine

Mol. Formula:
C13H15BrFN5

M.W.:
340.20

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
57.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3417714

Name:
1-(3-oxo-3-(2-phenoxyphenylamino)propyl)pyrrolidine-2-carboxylic acid

Mol. Formula:
C20H22N2O4

M.W.:
354.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
78.87

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3417713

Name:
3-(2-(2,6-difluorobenzyl)pyrrolidin-1-yl)propanoic acid

Mol. Formula:
C14H17F2NO2

M.W.:
269.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3417712

Name:
2-(2-(2-chlorobenzyl)pyrrolidin-1-yl)acetic acid

Mol. Formula:
C13H16ClNO2

M.W.:
253.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3417711

Name:
2-(4-(2-(trifluoromethyl)benzoyl)-1,4-diazepan-1-yl)propanoic acid

Mol. Formula:
C16H19F3N2O3

M.W.:
344.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
60.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3417710

Name:
2-(4-(2-(trifluoromethyl)phenethyl)piperidin-1-yl)acetic acid

Mol. Formula:
C16H20F3NO2

M.W.:
315.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3417709

Name:
2-(1-(1-(2,4-dibromophenylamino)-1-oxopropan-2-yl)piperidin-3-yl)acetic aciShow More⌵

Mol. Formula:
C16H20Br2N2O3

M.W.:
448.15

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3417708

Name:
3-(ethyl((8-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)amino)propanoic Show More⌵

Mol. Formula:
C15H19N3O3

M.W.:
289.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.53

Polar Surface Area:
86.29

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3417707

Name:
(R)-1-(2-(phenyl(pyridin-2-yl)methyleneaminooxy)ethyl)piperidine-3-carboxylShow More⌵

Mol. Formula:
C20H23N3O3

M.W.:
353.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
75.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1192843

Name:
(R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid

Mol. Formula:
C24H31NO2

M.W.:
365.52

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1191532

Name:
(R)-1-(2-(diphenylmethyleneaminooxy)ethyl)piperidine-3-carboxylic acid

Mol. Formula:
C21H24N2O3

M.W.:
352.43

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA557612

Name:
(R)-1-{2-[2-(2-Diphenylamino-ethoxy)-ethoxy]-ethyl}-piperidine-3-carboxylicShow More⌵

Mol. Formula:
C24H33ClN2O4

M.W.:
448.99

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
62.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA540076

Name:
(R)-1-(8-Diphenylamino-octyl)-piperidine-3-carboxylic acid hydrochloride

Mol. Formula:
C26H37ClN2O2

M.W.:
445.05

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA541863

Name:
(R)-1-{2-[(3,3-Diphenyl-propyl)-methyl-amino]-ethyl}-piperidine-3-carboxyliShow More⌵

Mol. Formula:
C24H33ClN2O2

M.W.:
416.99

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.72

DETAILS