Compounds

Type:
Small molecule

AlogP:
-1.07

Polar Surface Area:
150.70

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3980061

Name:
(S)-N-((S)-4-amino-1-((S)-2-(2-hydroxyphenylcarbamoyl)pyrrolidin-1-yl)-1,4-Show More⌵

Mol. Formula:
C20H25N5O6

M.W.:
431.45

Type:
Small molecule

AlogP:
-1.04

Polar Surface Area:
170.93

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3979818

Name:
(S)-4-((S)-2-carbamoylpyrrolidin-1-yl)-4-oxo-3-((S)-5-oxopyrrolidine-2-carbShow More⌵

Mol. Formula:
C14H20N4O6

M.W.:
340.34

Type:
Protein

AlogP:
-2.30

Polar Surface Area:
158.90

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3969709

Name:
(S)-N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-1-oxopropan-2-yl)-5-oxopyrrolShow More⌵

Mol. Formula:
C13H20N4O4

M.W.:
296.33

Type:
Protein

AlogP:
-1.75

Polar Surface Area:
121.60

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3968057

Name:
(S)-N-((S)-4-amino-1-((S)-2-(2-(hydroxymethyl)phenylcarbamoyl)pyrrolidin-1-Show More⌵

Mol. Formula:
C21H27N5O6

M.W.:
445.48

Type:
Small molecule

AlogP:
-1.25

Polar Surface Area:
170.93

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3954284

Name:
(S)-N-((S)-4-amino-1-((S)-2-carbamoylpyrrolidin-1-yl)-1,4-dioxobutan-2-yl)-Show More⌵

Mol. Formula:
C14H21N5O5

M.W.:
339.35

9 activity values

3 unique targets

Type:
Protein

AlogP:
-2.90

Polar Surface Area:
164.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3953573

Name:
(S)-1-((S)-3-(4-hydroxyphenyl)-2-((S)-5-oxopyrrolidine-2-carboxamido)propanShow More⌵

Mol. Formula:
C19H24N4O5

M.W.:
388.42

4 activity values

Type:
Protein

AlogP:
-0.83

Polar Surface Area:
141.83

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3949875

Name:
(S)-N-((S)-6-amino-1-((S)-2-carbamoylpyrrolidin-1-yl)-1-oxohexan-2-yl)-5-oxShow More⌵

Mol. Formula:
C16H27N5O4

M.W.:
353.42

Type:
Protein

AlogP:
-1.64

Polar Surface Area:
147.62

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3947560

Name:
(S)-N-((S)-2-((S)-2-carbamoylpyrrolidin-1-yl)-2-oxo-1-phenylethyl)-5-oxopyrShow More⌵

Mol. Formula:
C18H22N4O4

M.W.:
358.40

Type:
Protein

AlogP:
-0.40

Polar Surface Area:
121.60

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3941076

Name:
(S)-1-((S)-1-((S)-5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl)pyrrolShow More⌵

Mol. Formula:
C15H22N4O4

M.W.:
322.37

Type:
Protein

AlogP:
-1.27

Polar Surface Area:
112.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3940595

Name:
(S)-N-(2-((S)-2-carbamoylpyrrolidin-1-yl)-2-oxoethyl)-5-oxopyrrolidine-2-caShow More⌵

Mol. Formula:
C12H18N4O4

M.W.:
282.30

Type:
Protein

AlogP:
-2.14

Polar Surface Area:
121.60

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3937656

Name:
(S)-N-((R)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(methylthio)-1-oxopropan-2-Show More⌵

Mol. Formula:
C14H22N4O4S

M.W.:
342.42

Type:
Protein

AlogP:
-1.41

Polar Surface Area:
121.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3934622

Name:
(S)-N-((S)-4-amino-1-((S)-2-(2-methoxyphenylcarbamoyl)pyrrolidin-1-yl)-1,4-Show More⌵

Mol. Formula:
C21H27N5O6

M.W.:
445.48

Type:
Small molecule

AlogP:
-0.74

Polar Surface Area:
159.93

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3933726

Name:
(S)-N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-1-oxo-4-phenylbutan-2-yl)-5-oShow More⌵

Mol. Formula:
C20H26N4O4

M.W.:
386.45

Type:
Protein

AlogP:
-0.14

Polar Surface Area:
121.60

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3931015

Name:
(S)-N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)-5-oShow More⌵

Mol. Formula:
C15H24N4O4

M.W.:
324.38

Type:
Protein

AlogP:
-1.12

Polar Surface Area:
121.60

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3929592

Name:
(S)-N-(5-chloro-2-methoxyphenyl)-1-((S)-1-((S)-5-oxopyrrolidine-2-carbonyl)Show More⌵

Mol. Formula:
C22H27ClN4O5

M.W.:
462.93

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
108.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3929308

Name:
(S)-1-((S)-1-((S)-5-oxopyrrolidine-2-carbonyl)piperidine-2-carbonyl)pyrroliShow More⌵

Mol. Formula:
C16H24N4O4

M.W.:
336.39

Type:
Protein

AlogP:
-0.88

Polar Surface Area:
112.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3926920

Name:
(S)-N-((S)-4-amino-1-((S)-2-(3-methoxyphenylcarbamoyl)pyrrolidin-1-yl)-1,4-Show More⌵

Mol. Formula:
C21H27N5O6

M.W.:
445.48

Type:
Small molecule

AlogP:
-0.74

Polar Surface Area:
159.93

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3922756

Name:
(S)-N-((R)-4-amino-1-((S)-2-carbamoylpyrrolidin-1-yl)-1,4-dioxobutan-2-yl)-Show More⌵

Mol. Formula:
C14H21N5O5

M.W.:
339.35

Type:
Protein

AlogP:
-2.90

Polar Surface Area:
164.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3921638

Name:
(S)-N-((S)-4-amino-1,4-dioxo-1-((S)-2-(5,6,7,8-tetrahydronaphthalene-1-carbShow More⌵

Mol. Formula:
C25H31N5O6

M.W.:
497.55