Compounds

ALA3392190

Name:
Dimethyl-(5-methyl-1-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-3-{3-methShow More⌵

Mol. Formula:
C33H62ClN5O6S

M.W.:
692.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
162.57

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3392103

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

Mol. Formula:
C22H41N3O6

M.W.:
443.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
133.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3392102

Name:
2-(2-{3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylaminoShow More⌵

Mol. Formula:
C28H52N4O7

M.W.:
556.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
162.93

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3392101

Name:
2-(2-{3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylaminoShow More⌵

Mol. Formula:
C31H50N4O7

M.W.:
590.76

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
162.93

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3392100

Name:
4-[2-(2,2-Dimethyl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyShow 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:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3392099

Name:
6-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-buShow More⌵

Mol. Formula:
C31H57N5O6

M.W.:
595.83

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
162.57

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3392098

Name:
3-Hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-bShow More⌵

Mol. Formula:
C34H57N5O6

M.W.:
631.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
165.73

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3392097

Name:
3-Hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-bShow More⌵

Mol. Formula:
C34H57N5O6

M.W.:
631.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
165.73

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3392096

Name:
[1-(1-{1-Benzyl-2-hydroxy-3-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-prShow More⌵

Mol. Formula:
C34H57N5O7

M.W.:
647.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
174.96

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3392095

Name:
[1-(1-{1-Benzyl-2-hydroxy-3-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-prShow More⌵

Mol. Formula:
C34H57N5O7

M.W.:
647.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
174.96

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3392094

Name:
{2-Methyl-1-[2-methyl-1-(3-methyl-1-{1-methyl-2-[1-(3-methyl-butylcarbamoylShow More⌵

Mol. Formula:
C32H61N5O6

M.W.:
611.87

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
154.73

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3392093

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

Mol. Formula:
C35H59N5O6

M.W.:
645.89

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
154.73

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3392092

Name:
3-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-buShow More⌵

Mol. Formula:
C30H50N4O5

M.W.:
546.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
125.63

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3392091

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

ALA3392090

Name:
3,6-Dimethyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylaminoShow More⌵

Mol. Formula:
C32H61N5O5

M.W.:
595.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
145.50

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3392089

Name:
3,6-Dimethyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylaminoShow More⌵

Mol. Formula:
C32H61N5O5

M.W.:
595.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
145.50

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3392088

Name:
6-Methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-heptanoic acidShow 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

ALA3392087

Name:
(1-{1-Benzyl-2-hydroxy-3-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-propyShow More⌵

Mol. Formula:
C29H48N4O6

M.W.:
548.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
145.86

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3392084

Name:
3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyryShow More⌵

Mol. Formula:
C31H59N5O6

M.W.:
597.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
165.73

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3392083

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

Mol. Formula:
C31H59N5O7

M.W.:
613.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
174.96

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS