Compounds

ALA2316255

Name:
3-((2S,3R,4S,5S)-3-((1S,2S)-1-(benzyloxy)-2-methylbutyl)-4-nitro-5-phenylpyShow More⌵

Mol. Formula:
C26H33N3O6

M.W.:
483.57

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
130.80

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2316253

Name:
3-((2S,3S,4S,5S)-1-(2-aminoacetyl)-3-((1S,2S)-1-(benzyloxy)-2-methylbutyl)-Show More⌵

Mol. Formula:
C29H38N4O7

M.W.:
554.64

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
165.10

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2316252

Name:
6-((2S,3S,4S,5S)-3-((1S,2S)-1-(benzyloxy)-2-methylbutyl)-2-methyl-4-nitro-5Show More⌵

Mol. Formula:
C30H41N3O6

M.W.:
539.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
130.80

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2316250

Name:
5-({(S)-[(2S,3S,4S)-3-((1S,2S)-1-Benzyloxy-2-methyl-butyl)-2-methyl-4-nitroShow More⌵

Mol. Formula:
C29H39N3O6

M.W.:
525.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
130.80

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2316249

Name:
5-((2S,3R,4S,5S)-3-((1S,2S)-1-(benzyloxy)-2-methylbutyl)-4-nitro-5-phenylpyShow More⌵

Mol. Formula:
C28H37N3O6

M.W.:
511.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
130.80

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2316247

Name:
4-((2S,3R,4S,5S)-3-((1S,2S)-1-(benzyloxy)-2-methylbutyl)-4-nitro-5-phenylpyShow More⌵

Mol. Formula:
C27H35N3O6

M.W.:
497.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
130.80

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2316000

Name:
3-((2S,3R,4S,5S)-3-((1S,2S)-1-(2-fluorobenzyloxy)-2-methylbutyl)-4-nitro-5-Show More⌵

Mol. Formula:
C24H30FN3O6S

M.W.:
507.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
130.80

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2315999

Name:
3-((2S,3S,4S,5S)-3-((1S,2S)-1-(benzyloxy)-2-methylbutyl)-2-methyl-4-nitro-5Show More⌵

Mol. Formula:
C27H35N3O6

M.W.:
497.59

12 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
130.80

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1728836

Name:
SID99380869

Mol. Formula:
C23H29BrN2O6S

M.W.:
541.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
102.01

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS