Compounds

ALA2070527

Name:
1-O-Methyl-2-acetamido-2-deoxy-3-O-[p-methoxyphenyl(ethoxy-(L)-sarcosinyl)pShow More⌵

Mol. Formula:
C21H33N2O11P

M.W.:
520.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.29

Polar Surface Area:
162.32

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2070526

Name:
1-O-Methyl-2-acetamido-2-deoxy-3-O-[4-methoxyphenyl(ethoxy-(L)-valinyl)]-phShow More⌵

Mol. Formula:
C23H37N2O11P

M.W.:
548.53

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
171.11

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2070525

Name:
(2S)-ethyl 1-(((2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-mShow More⌵

Mol. Formula:
C23H35N2O11P

M.W.:
546.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.82

Polar Surface Area:
162.32

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2070524

Name:
1-O-Methyl-2-acetamido-2-deoxy-3-O-[4-methoxyphenyl(benzyloxy-(L)-valinyl)]Show More⌵

Mol. Formula:
C28H39N2O11P

M.W.:
610.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
171.11

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2070523

Name:
1-O-Methyl-2-acetamido-2-deoxy-3-O-[4-methoxyphenyl(benzyloxy-(L)-alaninyl)Show More⌵

Mol. Formula:
C26H35N2O11P

M.W.:
582.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
171.11

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2070518

Name:
2-Acetamido-2-deoxy-3-O-[4-methoxyphenyl(methoxy-(L)-valinyl)]-phosphate-alShow More⌵

Mol. Formula:
C21H33N2O11P

M.W.:
520.47

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.07

Polar Surface Area:
182.11

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2070517

Name:
2-Acetamido-2-deoxy-3-O-[4-methoxyphenyl(tert-butoxy-(L)-prolinyl)]-phosphaShow More⌵

Mol. Formula:
C24H37N2O11P

M.W.:
560.54

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
173.32

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2070516

Name:
2-Acetamido-2-deoxy-3-O-[4-methoxyphenyl(ethoxy-(L)-norvalinyl)]-phosphate-Show More⌵

Mol. Formula:
C22H35N2O11P

M.W.:
534.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.46

Polar Surface Area:
182.11

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2070515

Name:
2-Acetamido-2-deoxy-3-O-[4-methoxyphenyl-(cyclohexyloxy-(L)-prolinyl)]-phosShow More⌵

Mol. Formula:
C26H39N2O11P

M.W.:
586.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
173.32

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2070514

Name:
2-acetamido-2-deoxy-3-O-[4-methoxyphenyl-(2-butoxy-(L)-prolinyl)]-phosphateShow More⌵

Mol. Formula:
C24H37N2O11P

M.W.:
560.54

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
173.32

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2070513

Name:
2-acetamido-2-deoxy-3-O-[4-methoxyphenyl-(iso-propoxy-(L)-prolinyl)]-phosphShow More⌵

Mol. Formula:
C23H35N2O11P

M.W.:
546.51

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
173.32

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2070512

Name:
2-Acetamido-2-deoxy-3-O-[4-methoxyphenyl(ethoxy-(L)-sarcosinyl)]-phosphate-Show More⌵

Mol. Formula:
C20H31N2O11P

M.W.:
506.45

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
173.32

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS