Compounds

D-Norvaline

Name:
D-Norvaline

Mol. Formula:
C5H11NO2

M.W.:
117.15

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

L-Prolinol

Name:
L-Prolinol

Mol. Formula:
C5H11NO

M.W.:
101.15

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.27

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.48

DETAILS

α-(Methylamino)isobutyric acid

Name:
N-Methylaminoisobutyric acid

Mol. Formula:
C5H11NO2

M.W.:
117.15

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.07

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.54

DETAILS

Thiazolidine

Name:
Thiazolidine

Mol. Formula:
C3H7NS

M.W.:
89.16

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.28

Polar Surface Area:
12.03

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.46

DETAILS

N-Methyl-L-alanine

Name:
N-Methyl-L-alanine

Mol. Formula:
C4H9NO2

M.W.:
103.12

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.32

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.50

DETAILS

L-Isoleucine

Name:
L-Isoleucine

Mol. Formula:
C6H13NO2

M.W.:
131.18

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

cis-4-Hydroxy-L-proline

Name:
cis-4-Hydroxy-L-proline

Mol. Formula:
C5H9NO3

M.W.:
131.13

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.21

Polar Surface Area:
69.56

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1233466

Name:
trans-3-Hydroxy-L-proline

Mol. Formula:
C5H9NO3

M.W.:
131.13

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.21

Polar Surface Area:
69.56

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

D-Homoproline

Name:
D-Pipecolic acid

Mol. Formula:
C6H11NO2

M.W.:
129.16

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.21

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.53

DETAILS

α-Aminoisobutyric acid

Name:
alpha-Aminoisobutyric acid

Mol. Formula:
C4H9NO2

M.W.:
103.12

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.19

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

L-2-Aminobutyric acid

Name:
L-alpha-Aminobutyric acid

Mol. Formula:
C4H9NO2

M.W.:
103.12

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.19

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1229563

Name:
cis-4-Hydroxy-D-proline

Mol. Formula:
C5H9NO3

M.W.:
131.13

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.21

Polar Surface Area:
69.56

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS