Compounds

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1689156

Name:
(S)-2-((2S,3R)-3-amino-4-(biphenyl-4-yl)-2-hydroxybutanamido)-4-methylpentaShow More⌵

Mol. Formula:
C22H28N2O4

M.W.:
384.48

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1689154

Name:
(S)-2-((2S,3R)-3-amino-2-hydroxyheptanamido)-4-methylpentanoic acid

Mol. Formula:
C13H26N2O4

M.W.:
274.36

Type:
Small molecule

AlogP:
0.48

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1689153

Name:
(S)-2-((2S,3R)-3-amino-2-hydroxy-4-(naphthalen-2-yl)butanamido)-4-methylpenShow More⌵

Mol. Formula:
C20H26N2O4

M.W.:
358.44

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1689152

Name:
(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-3-(biphenyl-4-yl)propaShow More⌵

Mol. Formula:
C25H26N2O4

M.W.:
418.49

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1689151

Name:
(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-3-(naphthalen-2-yl)proShow More⌵

Mol. Formula:
C23H24N2O4

M.W.:
392.46

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1689150

Name:
(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-3-(4-(benzyloxy)phenylShow More⌵

Mol. Formula:
C26H28N2O5

M.W.:
448.52

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
121.88

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1689149

Name:
(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-6-(benzyloxycarbonylamShow More⌵

Mol. Formula:
C24H31N3O6

M.W.:
457.53

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
150.98

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1689148

Name:
(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)hexanoic acid

Mol. Formula:
C16H24N2O4

M.W.:
308.38

3 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1614913

Name:
(S)-2-((2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanamido)-4-methylpenShow More⌵

Mol. Formula:
C17H26N2O5

M.W.:
338.40

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
121.88

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1614912

Name:
(S)-2-((2S,3R)-3-amino-4-(4-(benzyloxy)phenyl)-2-hydroxybutanamido)-4-methyShow More⌵

Mol. Formula:
C23H30N2O5

M.W.:
414.50

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
121.88

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1569874

Name:
SID24796377

Mol. Formula:
C23H24FN5O2S

M.W.:
453.54

4 activity values

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
88.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1519433

Name:
SID17403140

Mol. Formula:
C18H28N4O2S

M.W.:
364.52

3 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
69.54

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1511105

Name:
SID24835670

Mol. Formula:
C19H18F2N4O6S

M.W.:
468.44

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
147.90

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1505218

Name:
SID24788690

Mol. Formula:
C14H18N4O3S

M.W.:
322.39

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
95.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1495858

Name:
SID848339

Mol. Formula:
C25H29N3O6S

M.W.:
499.59

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
120.03

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1478363

Name:
SID24822414

Mol. Formula:
C21H23N3O3S

M.W.:
397.50

6 activity values

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
64.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1477195

Name:
SID26661896

Mol. Formula:
C21H18BrO4P

M.W.:
445.25

5 activity values

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1472405

Name:
SID24813720

Mol. Formula:
C17H13Cl3N4O5S

M.W.:
491.74

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
133.93

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1469845

Name:
SID24819061

Mol. Formula:
C18H20FN3O2S

M.W.:
361.44

4 activity values