Compounds

ALA4294344

Name:
N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diShow More⌵

Mol. Formula:
C40H46N6O5

M.W.:
690.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
158.33

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4292459

Name:
N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diShow More⌵

Mol. Formula:
C39H52N4O5

M.W.:
656.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
128.79

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4291999

Name:
3-Chloro-N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroShow More⌵

Mol. Formula:
C41H45ClF3N3O5

M.W.:
752.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.02

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4290951

Name:
N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diShow More⌵

Mol. Formula:
C42H48F3N3O6

M.W.:
747.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.55

Polar Surface Area:
125.99

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4289039

Name:
N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diShow More⌵

Mol. Formula:
C38H48N4O6

M.W.:
656.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
145.86

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4287522

Name:
N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diShow More⌵

Mol. Formula:
C38H44N4O8

M.W.:
684.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
173.04

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4287125

Name:
N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diShow More⌵

Mol. Formula:
C42H45F6N3O5

M.W.:
785.83

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.38

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4285585

Name:
N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diShow More⌵

Mol. Formula:
C42H51N3O5

M.W.:
677.89

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4283775

Name:
N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diShow More⌵

Mol. Formula:
C42H48F3N3O6

M.W.:
747.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
125.99

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4281829

Name:
(2-Benzyl-3-(((S)-1-methoxy-1-oxopropan-2-yl)amino)-3-oxopropyl)((R)-1-(((bShow More⌵

Mol. Formula:
C30H35N2O7P

M.W.:
566.59

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
131.03

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4281386

Name:
2-Chloro-N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroShow More⌵

Mol. Formula:
C39H45ClN4O5

M.W.:
685.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
129.65

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4281148

Name:
(S)-2-(2-(4-chlorophenyl)acetamido)-N-((2S,4S,5S)-5-(2-(2,6-dimethylphenoxyShow More⌵

Mol. Formula:
C41H48ClN3O5

M.W.:
698.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4280318

Name:
5-bromo-N-((S)-1-((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxyShow More⌵

Mol. Formula:
C39H45BrN4O5

M.W.:
729.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
129.65

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4279200

Name:
(S)-N-((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenShow More⌵

Mol. Formula:
C40H48N4O5

M.W.:
664.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
129.65

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4277926

Name:
(S)-2-(2-Cyclopropylacetamido)-N-((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetShow More⌵

Mol. Formula:
C38H49N3O5

M.W.:
627.83

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4277068

Name:
(2-benzyl-3-(((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)(hydroxy)phoShow More⌵

Mol. Formula:
C29H33N2O7P

M.W.:
552.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
142.03

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4276882

Name:
3-Chloro-N-((S)-1-(((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroShow More⌵

Mol. Formula:
C41H48ClN3O6

M.W.:
714.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
125.99

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS