Compounds

ALA4591723

Name:
(S)-3-((S)-2-((S)-1-(1-(4-(dimethylamino)but-2-ynyl)-2-(2-phenylacetyl)hydrShow More⌵

Mol. Formula:
C38H45N7O6

M.W.:
695.82

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
164.28

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4589552

Name:
(S)-3-((S)-2-((2S,4R)-4-hydroxy-1-(2-(2-phenylacetyl)-1-(prop-2-ynyl)hydrazShow More⌵

Mol. Formula:
C35H38N6O7

M.W.:
654.72

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.08

Polar Surface Area:
181.27

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4587980

Name:
(S)-3-((S)-2-((2S,4S)-4-amino-1-(1-benzyl-2-(2-phenylacetyl)hydrazinecarbonShow More⌵

Mol. Formula:
C39H43N7O6

M.W.:
705.82

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
187.06

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4567278

Name:
(S)-3-((S)-2-((S)-1-(1-(4-methylbenzyl)-2-(2-phenylacetyl)hydrazinecarbonylShow More⌵

Mol. Formula:
C40H44N6O6

M.W.:
704.83

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
161.04

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4564254

Name:
(S)-3-((S)-2-((2S,4S)-1-(1-benzyl-2-(2-phenylacetyl)hydrazinecarbonyl)-4-hyShow More⌵

Mol. Formula:
C39H42N6O7

M.W.:
706.80

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
181.27

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4564213

Name:
Phenylacetyl-(3S,9S)-2-oxo-5-phenyl-1,2,3,4,7,8,-hexahydroindolizine-9-carbShow More⌵

Mol. Formula:
C41H41N5O6

M.W.:
699.81

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
157.80

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4554667

Name:
(S)-4-phenyl-3-((S)-2-((S)-1-(2-(2-phenylacetyl)-1-((1-p-tolyl-1H-1,2,3-triShow More⌵

Mol. Formula:
C42H45N9O6

M.W.:
771.88

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
191.75

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4543962

Name:
(S)-3-((S)-2-((2S,4R)-4-hydroxy-1-(2-(2-phenylacetyl)hydrazinecarbonyl)pyrrShow More⌵

Mol. Formula:
C32H36N6O7

M.W.:
616.68

2 activity values

1 unique targets

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
190.06

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4540874

Name:
(S)-3-((S)-2-((1R,3S,6S,8aR)-1-hydroxy-5-oxo-6-(2-phenylacetamido)octahydroShow More⌵

Mol. Formula:
C35H39N5O7

M.W.:
641.73

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.16

Polar Surface Area:
178.03

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4540556

Name:
(S)-3-((S)-2-((2S,4S)-4-fluoro-1-(2-(2-phenylacetyl)hydrazinecarbonyl)pyrroShow More⌵

Mol. Formula:
C32H35FN6O6

M.W.:
618.67

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
169.83

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4537648

Name:
(S)-3-((S)-2-((2S,4R)-4-amino-1-(2-(2-phenylacetyl)hydrazinecarbonyl)pyrrolShow More⌵

Mol. Formula:
C32H37N7O6

M.W.:
615.69

2 activity values

1 unique targets

Type:
Unknown

AlogP:
0.70

Polar Surface Area:
195.85

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4536452

Name:
(S)-3-((S)-2-((2S,4S)-4-fluoro-1-(2-(2-phenylacetyl)-1-(prop-2-ynyl)hydraziShow More⌵

Mol. Formula:
C35H37FN6O6

M.W.:
656.72

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
161.04

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4535093

Name:
(S)-3-((S)-2-((3S,6S,8aR)-5-oxo-6-(2-phenylacetamido)octahydroindolizine-3-Show More⌵

Mol. Formula:
C35H39N5O6

M.W.:
625.73

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
157.80

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4534550

Name:
(S)-3-((S)-2-((2S,4S)-4-hydroxy-1-(2-(2-phenylacetyl)-1-(prop-2-ynyl)hydrazShow More⌵

Mol. Formula:
C35H38N6O7

M.W.:
654.72

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.08

Polar Surface Area:
181.27

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4527783

Name:
(S)-3-((S)-2-((S)-1-(1-(perfluorobenzyl)-2-(2-phenylacetyl)hydrazinecarbonyShow More⌵

Mol. Formula:
C39H37F5N6O6

M.W.:
780.75

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
161.04

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4522309

Name:
(S)-3-((S)-2-((3S,6S,8aS)-6-(2-(4-azidophenyl)acetamido)-5-oxooctahydroindoShow More⌵

Mol. Formula:
C35H38N8O6

M.W.:
666.74

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
206.56

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4522265

Name:
(S)-3-((S)-2-((2S,4R)-1-(1-benzyl-2-(2-phenylacetyl)hydrazinecarbonyl)-4-flShow More⌵

Mol. Formula:
C39H41FN6O6

M.W.:
708.79

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
161.04

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4519523

Name:
(S)-3-((S)-2-((2S,4R)-1-(1-benzyl-2-(2-phenylacetyl)hydrazinecarbonyl)-4-hyShow More⌵

Mol. Formula:
C39H42N6O7

M.W.:
706.80

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
181.27

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4516596

Name:
(S)-3-((S)-2-((2S,4S)-4-hydroxy-1-(2-(2-phenylacetyl)hydrazinecarbonyl)pyrrShow More⌵

Mol. Formula:
C32H36N6O7

M.W.:
616.68

2 activity values

1 unique targets

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
190.06

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4516169

Name:
(S)-3-((S)-2-((3S,6S)-8-(4-cyanophenyl)-5-oxo-6-(2-phenylacetamido)-1,2,3,5Show More⌵

Mol. Formula:
C42H40N6O6

M.W.:
724.82

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
181.59

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS