Compounds

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
134.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4877950

Name:
(S)-N-(2-(2-(2-(3,4-dimethoxybenzylamino)-2-oxoacetyl)pyrrolidin-1-yl)-2-oxShow More⌵

Mol. Formula:
C27H28N4O6

M.W.:
504.54

8 activity values

8 unique targets

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
126.93

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4876026

Name:
(S)-methyl 6-(benzyloxycarbonylamino)-2-(2-(2-oxo-2-((S)-1-(2-(quinoline-4-Show More⌵

Mol. Formula:
C35H40N6O9

M.W.:
688.74

Type:
Unknown

AlogP:
1.40

Polar Surface Area:
202.20

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4875452

Name:
(S)-methyl 5-amino-5-oxo-2-(2-(2-oxo-2-((S)-1-(2-(quinoline-4-carboxamido)aShow More⌵

Mol. Formula:
C26H30N6O8

M.W.:
554.56

Type:
Unknown

AlogP:
-1.44

Polar Surface Area:
206.96

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4874659

Name:
(S)-N-(2-(2-(2-(cyclohexylamino)-2-oxoacetyl)pyrrolidin-1-yl)-2-oxoethyl)quShow More⌵

Mol. Formula:
C24H28N4O4

M.W.:
436.51

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
108.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4874657

Name:
(S)-N-(2-(2-(2-(2-(methylamino)-2-oxoethylamino)-2-oxoacetyl)pyrrolidin-1-yShow More⌵

Mol. Formula:
C21H23N5O5

M.W.:
425.45

Type:
Unknown

AlogP:
-0.61

Polar Surface Area:
137.57

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4874501

Name:
(S)-N-(2-oxo-2-(2-(2-oxo-2-(2-oxo-2-(2-oxoethylamino)ethylamino)acetyl)pyrrShow More⌵

Mol. Formula:
C22H23N5O6

M.W.:
453.46

Type:
Unknown

AlogP:
-1.04

Polar Surface Area:
154.64

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4873985

Name:
(S)-methyl 4-(2-oxo-2-(1-(2-(quinoline-4-carboxamido)acetyl)pyrrolidin-2-ylShow More⌵

Mol. Formula:
C26H24N4O6

M.W.:
488.50

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
134.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4873662

Name:
(S)-methyl 3-hydroxy-2-(2-(2-oxo-2-((S)-1-(2-(quinoline-4-carboxamido)acetyShow More⌵

Mol. Formula:
C24H27N5O8

M.W.:
513.51

Type:
Unknown

AlogP:
-1.71

Polar Surface Area:
184.10

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4872140

Name:
(S)-N-(2-(2-(2-(2-(cyclopropylamino)-2-oxoethylamino)-2-oxoacetyl)pyrrolidiShow More⌵

Mol. Formula:
C23H25N5O5

M.W.:
451.48

Type:
Unknown

AlogP:
-0.08

Polar Surface Area:
137.57

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4871602

Name:
(S)-N-(2-(2-(2-(2-(tert-butylamino)-2-oxoethylamino)-2-oxoacetyl)pyrrolidinShow More⌵

Mol. Formula:
C24H29N5O5

M.W.:
467.53

Type:
Unknown

AlogP:
0.56

Polar Surface Area:
137.57

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4871573

Name:
(S)-N-(2-(2-(2-(4-methoxyphenylamino)-2-oxoacetyl)pyrrolidin-1-yl)-2-oxoethShow More⌵

Mol. Formula:
C25H24N4O5

M.W.:
460.49

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
117.70

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4870593

Name:
(S)-N-(2-(2-(2-(2-(isopropylamino)-2-oxoethylamino)-2-oxoacetyl)pyrrolidin-Show More⌵

Mol. Formula:
C23H27N5O5

M.W.:
453.50

Type:
Unknown

AlogP:
0.17

Polar Surface Area:
137.57

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4870506

Name:
(S)-4-benzyl 1-methyl 2-(2-(2-oxo-2-((S)-1-(2-(quinoline-4-carboxamido)acetShow More⌵

Mol. Formula:
C32H33N5O9

M.W.:
631.64

Type:
Unknown

AlogP:
0.43

Polar Surface Area:
190.17

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4870279

Name:
Rac-Methyl 2-(2-oxo-2-((S)-1-(2-(quinoline-4-carboxamido)acetyl)pyrrolidin-Show More⌵

Mol. Formula:
C22H24N4O6

M.W.:
440.46

Type:
Unknown

AlogP:
0.20

Polar Surface Area:
134.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4870027

Name:
(S)-methyl 2-(2-(2-oxo-2-(1-(2-(quinoline-4-carboxamido)acetyl)pyrrolidin-2Show More⌵

Mol. Formula:
C23H25N5O7

M.W.:
483.48

Type:
Unknown

AlogP:
-1.07

Polar Surface Area:
163.87

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4869363

Name:
Quinoline-4-carboxylic acid {2-[(S)-2-(adamantan-1-ylaminooxalyl)-pyrrolidiShow More⌵

Mol. Formula:
C28H32N4O4

M.W.:
488.59

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
108.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4869146

Name:
(S)-N-(2-oxo-2-(2-(2-oxo-2-(2-oxo-2-(pyrrolidin-1-yl)ethylamino)acetyl)pyrrShow More⌵

Mol. Formula:
C24H27N5O5

M.W.:
465.51

Type:
Unknown

AlogP:
0.26

Polar Surface Area:
128.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4868869

Name:
(S)-N-(2-(2-(2-(2-morpholino-2-oxoethylamino)-2-oxoacetyl)pyrrolidin-1-yl)-Show More⌵

Mol. Formula:
C24H27N5O6

M.W.:
481.51

Type:
Unknown

AlogP:
-0.50

Polar Surface Area:
138.01

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4868792

Name:
(S)-N-(2-(2-(2-(2-(dimethylamino)-2-oxoethylamino)-2-oxoacetyl)pyrrolidin-1Show More⌵

Mol. Formula:
C22H25N5O5

M.W.:
439.47