Compounds

ALA3350383

Name:
(2S)-2-{2-[(carboxymethyl)amino]-3-phenylpropanamido}-4-methylpentanoic aciShow More⌵

Mol. Formula:
C17H24N2O5

M.W.:
336.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2372595

Name:
2-[2-(Carboxymethyl-amino)-3-phenyl-propionylamino]-propionic acid

Mol. Formula:
C14H18N2O5

M.W.:
294.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.14

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2372594

Name:
2-[(2R)-2-[(carboxymethyl)amino]-3-phenylpropanamido]-4-methylpentanoic aciShow More⌵

Mol. Formula:
C17H24N2O5

M.W.:
336.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2372593

Name:
2-[2-(Carboxymethyl-amino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid

Mol. Formula:
C17H24N2O5

M.W.:
336.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1161399

Name:
2-[2-(2-Carboxy-ethylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic aciShow More⌵

Mol. Formula:
C18H26N2O5

M.W.:
350.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1161397

Name:
2-(2-Carboxy-3-phenyl-propionylamino)-4-methyl-pentanoic acid

Mol. Formula:
C16H21NO5

M.W.:
307.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1161396

Name:
2-(2-Carboxymethyl-3-phenyl-propionylamino)-4-methyl-pentanoic acid

Mol. Formula:
C17H23NO5

M.W.:
321.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1161395

Name:
(2S)-2-[(2R)-2-[(carboxymethyl)amino]-3-phenylpropanamido]-4-methylpentanoiShow More⌵

Mol. Formula:
C17H24N2O5

M.W.:
336.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA273853

Name:
3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-methoxy-phenyl)-butyrylamino]Show More⌵

Mol. Formula:
C21H25NO5S

M.W.:
403.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
95.86

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS