Compounds

ALA3976005

Name:
(R)-1-[[3-[2-[(R)-2-Carboxy-pyrrolidin-1-yl]-2-oxo-ethyl]-phenyl]-acetyl]-pShow More⌵

Mol. Formula:
C20H24N2O6

M.W.:
388.42

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.92

Polar Surface Area:
115.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3973537

Name:
(R)-1-[[2-[2-[(R)-2-carboxy-pyrrolidin-1-yl]-2-oxo-ethoxy]-3-methoxy-phenoxShow More⌵

Mol. Formula:
C21H26N2O9

M.W.:
450.44

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
142.91

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3965464

Name:
(R)-1-[[4-[2-[(R)-2-Carboxy-pyrrolidin-1-yl]-2-oxo-ethyl]-naphthalen-1-yl]-Show More⌵

Mol. Formula:
C24H26N2O6

M.W.:
438.48

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
115.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3960563

Name:
(R)-1-[[4-[2-[(R)-2-Carboxy-pyrrolidin-1-yl]-2-oxo-ethoxy]-phenoxy]-acetyl]Show More⌵

Mol. Formula:
C20H24N2O8

M.W.:
420.42

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
133.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3957899

Name:
(R)-1-[(S)-3-[(S)-3-[(R)-2-carboxy-pyrrolidin-1-yl]-2-methyl-3-oxo-propyldiShow More⌵

Mol. Formula:
C18H28N2O6S2

M.W.:
432.56

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
115.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3944109

Name:
(R)-1-[[2-[2-[(R)-2-Caxboxy-pyrrolidin-1-yl]-2-oxo-ethoxy]-phenoxyl]-acetylShow More⌵

Mol. Formula:
C20H24N2O8

M.W.:
420.42

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
133.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3941409

Name:
(R)-1-[[5-[2-[(R)-2-Carboxy-pyrrolidin-1-yl]-2-oxo-ethoxy]-naphthalen-1-yloShow More⌵

Mol. Formula:
C24H26N2O8

M.W.:
470.48

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
133.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3920357

Name:
(R)-1-[[2,5-Dihydroxy-4-[2-[(R)-2-carboxy-pyrrolidin-1-yl]-2-oxo-ethyl]-pheShow More⌵

Mol. Formula:
C20H24N2O8

M.W.:
420.42

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
155.68

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3919648

Name:
(R)-1-[[3-[2-[(R)-2-Carboxy-pyrrolidin-1-yl]-2-oxo-ethoxy]-2-methyl-phenoxyShow More⌵

Mol. Formula:
C21H26N2O8

M.W.:
434.45

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.90

Polar Surface Area:
133.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3915291

Name:
(R)-1-[cis-4-[(R)-2-Carboxy-pyrrolidine-1-carbonyl]-cyclohexanecarbonyl]-pyShow More⌵

Mol. Formula:
C18H26N2O6

M.W.:
366.41

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
115.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3896331

Name:
(R)-1-[[4-[2-[(R)-2-Carboxy-pyrrolidin-1-yl]-2-oxo-ethyl]-phenyl]-acetyl]-pShow More⌵

Mol. Formula:
C20H24N2O6

M.W.:
388.42

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.92

Polar Surface Area:
115.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS