Compounds

Type:
---

AlogP:
3.74

Polar Surface Area:
94.03

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5179965

Name:
2-(3-(3-chlorobenzyl)-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl)-2-oxoacetaShow More⌵

Mol. Formula:
C23H25ClN2O4

M.W.:
428.92

Type:
---

AlogP:
3.56

Polar Surface Area:
94.03

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5177527

Name:
2-(8-((1H-tetrazol-1-yl)methoxy)-3-([1,1'-biphenyl]-2-ylmethyl)-2-methylindShow More⌵

Mol. Formula:
C26H22N6O3

M.W.:
466.50

Type:
---

AlogP:
3.20

Polar Surface Area:
117.40

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5172164

Name:
2-((3-([1,1'-biphenyl]-2-ylmethyl)-1-(2-amino-2-oxoacetyl)-2-methylindoliziShow More⌵

Mol. Formula:
C26H22N2O5

M.W.:
442.47

13 activity values

11 unique targets

Type:
---

AlogP:
3.64

Polar Surface Area:
111.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4251058

Name:
5-hydroxy-4-((1R,2S)-1-hydroxy-2-((3S,5S,6R,7R,8R,9S,10R,13S,14R)-3,6,7-triShow More⌵

Mol. Formula:
C26H38O7

M.W.:
462.58

3 activity values

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
127.45

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3770559

Name:
(S)-3-Methyl 2-(2-(naphthalen-2-yl)-2-oxoacetamido)butanoic acid

Mol. Formula:
C17H17NO4

M.W.:
299.33

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3770078

Name:
(S)-3-Methyl 2-(2-oxo-6-phenylhexanamido)butanoicacid

Mol. Formula:
C17H23NO4

M.W.:
305.37

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3770773

Name:
(S)-2-(6-([1,1'-Biphenyl]-4-yl)-2-oxohexanamido)-3-methylbutanoic acid

Mol. Formula:
C23H27NO4

M.W.:
381.47

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3770579

Name:
(S)-3-Methyl 2-(6-(naphthalen-2-yl)-2-oxohexanamido)butanoic acid

Mol. Formula:
C21H25NO4

M.W.:
355.43

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3770070

Name:
(S)-5-Ethoxy-5-oxo-4-(2-oxohexadecanamido)pentanoic acid

Mol. Formula:
C23H41NO6

M.W.:
427.58

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
109.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3769600

Name:
(S)-2-(2-Oxohexadecanamido)pentanedioic acid

Mol. Formula:
C21H37NO6

M.W.:
399.53

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
120.77

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3769469

Name:
(S)-2-(2-Oxohexadecanamido)propanoic acid

Mol. Formula:
C19H35NO4

M.W.:
341.49

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3769794

Name:
(S)-3-Methyl 2-(2-oxohexadecanamido)butanoic acid

Mol. Formula:
C21H39NO4

M.W.:
369.55

13 activity values

11 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3769765

Name:
2-Methyl 2-(2-oxo-hexadecanoylamino)propanoic acid

Mol. Formula:
C20H37NO4

M.W.:
355.52

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3770241

Name:
(S)-3,3-Dimethyl 2-(2-oxohexadecanamido)butanoicacid

Mol. Formula:
C22H41NO4

M.W.:
383.57

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3770953

Name:
(S)-1-(2-Oxohexadecanoyl)pyrrolidine-2-carboxylic acid

Mol. Formula:
C21H37NO4

M.W.:
367.53

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
74.68

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2335209

Name:
(S)-2-(3-(2-benzamido-4-methylthiazol-5-yl)-1H-pyrazole-5-carboxamido)propaShow More⌵

Mol. Formula:
C18H17N5O4S

M.W.:
399.43

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
137.07

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2335208

Name:
3-(2-benzamido-4-methylthiazol-5-yl)-1H-pyrazole-5-carboxylic acid

Mol. Formula:
C15H12N4O3S

M.W.:
328.35

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
107.97

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2335206

Name:
(2S)-5-amino-2-((2S)-5-amino-2-((2S)-1-((2S)-2-((2R)-4-amino-2-((2S)-2-(2-(Show More⌵

Mol. Formula:
C40H54N12O13

M.W.:
910.94