Compounds

ALA4588059

Name:
4-Phenylbutanoyl-L-alanyl-L-prolineamide

Mol. Formula:
C18H25N3O3

M.W.:
331.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.99

Polar Surface Area:
92.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4586782

Name:
4-Phenylbutanoyl-beta-alanyl-pyrrolidine

Mol. Formula:
C17H24N2O2

M.W.:
288.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4556841

Name:
4-Phenylbutanoyl-N-methyl-L-alanyl-pyrrolidine

Mol. Formula:
C18H26N2O2

M.W.:
302.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4551013

Name:
4-Phenylbutanoyl-D-alanyl-pyrrolidine

Mol. Formula:
C17H24N2O2

M.W.:
288.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4540171

Name:
4-Phenylbutanoyl-sarcosyl-pyrrolidine

Mol. Formula:
C17H24N2O2

M.W.:
288.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4520738

Name:
N-(2-methyl-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-4-phenylbutanamide

Mol. Formula:
C18H26N2O2

M.W.:
302.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4475037

Name:
4-Phenylbutanoyl-N-methyl-L-alanyl-L-prolineamide

Mol. Formula:
C19H27N3O3

M.W.:
345.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
83.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4441906

Name:
4-Phenylbutanoyl-glycyl-L-prolineamide

Mol. Formula:
C17H23N3O3

M.W.:
317.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.60

Polar Surface Area:
92.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4436952

Name:
4-Phenylbutanoyl-sarcosyl-L-prolineamide

Mol. Formula:
C18H25N3O3

M.W.:
331.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
83.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3236271

Name:
[11C]-(S)-4-(4-(methylamino)phenyl)-1-(2-(pyrrolidine-1-carbonyl)pyrrolidinShow More⌵

Mol. Formula:
C20H29N3O2

M.W.:
342.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1097128

Name:
(9H-fluoren-9-yl)methyl(S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-guanidino-1-oxoShow More⌵

Mol. Formula:
C26H30N6O3

M.W.:
474.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
144.33

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1086705

Name:
(R)-benzyl 2-((S)-2-formylpyrrolidine-1-carbonyl)indoline-1-carboxylate

Mol. Formula:
C22H22N2O4

M.W.:
378.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA155614

Name:
(1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cyclohexanecarboxylic acid Show More⌵

Mol. Formula:
C20H25NO4

M.W.:
343.42

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA154968

Name:
(1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cyclohexanecarboxylic acid Show More⌵

Mol. Formula:
C20H25NO4

M.W.:
343.42

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA345903

Name:
2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydro-indole-1-carboxylic aciShow More⌵

Mol. Formula:
C22H22N2O4

M.W.:
378.43

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS