Compounds

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3251703

Name:
(RS)-(2S)-2-(3-amino-4-(4-chlorophenyl)-2-hydroxybutanamido)-4-methylpentanShow More⌵

Mol. Formula:
C16H23ClN2O4

M.W.:
342.82

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3251701

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

Mol. Formula:
C16H25N3O4

M.W.:
323.39

Type:
Small molecule

AlogP:
0.12

Polar Surface Area:
138.67

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3251700

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

Mol. Formula:
C16H23N3O6

M.W.:
353.38

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
155.79

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3251699

Name:
(RS)-(2S)-2-((3R)-3-amino-2-hydroxy-3-phenylpropanamido)-4-methylpentanoic Show More⌵

Mol. Formula:
C15H22N2O4

M.W.:
294.35

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3251697

Name:
(2S)-2-((3R)-3-amino-2-hydroxy-5-methylhexanamido)-4-methylpentanoic acid

Mol. Formula:
C13H26N2O4

M.W.:
274.36

Type:
Small molecule

AlogP:
0.34

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3251696

Name:
(RS)-(2S)-2-((3R)-3-amino-2-hydroxybutanamido)-4-methylpentanoic acid

Mol. Formula:
C10H20N2O4

M.W.:
232.28

Type:
Small molecule

AlogP:
-0.69

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3251689

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

Mol. Formula:
C16H24N2O4

M.W.:
308.38

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3251688

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

Mol. Formula:
C15H22N2O4

M.W.:
294.35

Type:
Small molecule

AlogP:
0.29

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3251685

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

Mol. Formula:
C15H22N2O4S

M.W.:
326.42

Type:
Small molecule

AlogP:
0.24

Polar Surface Area:
112.65

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3251673

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

Mol. Formula:
C16H24N2O4

M.W.:
308.38

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
112.65

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA313270

Name:
(9S,12S,15S)-4-Benzyloxy-9-benzyloxycarbonylamino-12-carbamoylmethyl-10,13-Show More⌵

Mol. Formula:
C38H38N4O9

M.W.:
694.74

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
184.38

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA69146

Name:
2,6-Diamino-hexan-1-ol

Mol. Formula:
C6H16N2O

M.W.:
132.21