Compounds

ALA3143437

Name:
{1-[1-(1-{1-Hydroxy-1-methyl-2-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]Show More⌵

Mol. Formula:
C33H63N5O7

M.W.:
641.90

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
174.96

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3143436

Name:
{1-[1-(1-{1-Hydroxy-1-methyl-2-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]Show More⌵

Mol. Formula:
C33H63N5O7

M.W.:
641.90

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
174.96

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3143435

Name:
{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-ethyl}-3Show More⌵

Mol. Formula:
C32H61N5O7

M.W.:
627.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
174.96

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3142367

Name:
{1-[1-((S)-2-Hydroxy-1-isobutyl-hexylcarbamoyl)-2-methyl-propylcarbamoyl]-2Show More⌵

Mol. Formula:
C25H49N3O5

M.W.:
471.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3142364

Name:
{1-[1-((S)-2-Hydroxy-1-propyl-octylcarbamoyl)-2-methyl-propylcarbamoyl]-2-mShow More⌵

Mol. Formula:
C26H51N3O5

M.W.:
485.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3142356

Name:
{1-[1-((S)-1-sec-Butyl-2-hydroxy-octylcarbamoyl)-2-methyl-propylcarbamoyl]-Show More⌵

Mol. Formula:
C27H53N3O5

M.W.:
499.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3142355

Name:
{1-[1-((S)-1-sec-Butyl-2-hydroxy-decylcarbamoyl)-2-methyl-propylcarbamoyl]-Show More⌵

Mol. Formula:
C29H57N3O5

M.W.:
527.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3142354

Name:
{1-[1-((S)-2-Hydroxy-1-propyl-hexylcarbamoyl)-2-methyl-propylcarbamoyl]-2-mShow More⌵

Mol. Formula:
C24H47N3O5

M.W.:
457.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3142353

Name:
{1-[1-((S)-2-Hydroxy-1-propyl-decylcarbamoyl)-2-methyl-propylcarbamoyl]-2-mShow More⌵

Mol. Formula:
C28H55N3O5

M.W.:
513.76

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3142349

Name:
{1-[1-((S)-2-Hydroxy-1-isobutyl-decylcarbamoyl)-2-methyl-propylcarbamoyl]-2Show More⌵

Mol. Formula:
C29H57N3O5

M.W.:
527.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3142251

Name:
{1-[1-((S)-1-sec-Butyl-2-hydroxy-hexylcarbamoyl)-2-methyl-propylcarbamoyl]-Show More⌵

Mol. Formula:
C25H49N3O5

M.W.:
471.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA112015

Name:
3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-heptShow More⌵

Mol. Formula:
C26H50N4O5

M.W.:
498.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
136.63

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA432424

Name:
3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-heptShow More⌵

Mol. Formula:
C26H50N4O5

M.W.:
498.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
136.63

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS