Compounds

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
126.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3291290

Name:
(S)-2-acetamido-N4-(4-(benzyloxy)-3-(benzyloxymethyl)butyl)-N1-((S)-4-methyShow More⌵

Mol. Formula:
C34H47N3O7

M.W.:
609.76

2 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
135.36

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3262768

Name:
N-{S-3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-Show More⌵

Mol. Formula:
C38H41N3O5

M.W.:
619.76

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3262767

Name:
N-{S-3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-Show More⌵

Mol. Formula:
C35H38F3N3O5

M.W.:
637.70

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3262766

Name:
N-{R-3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-Show More⌵

Mol. Formula:
C38H41N3O5

M.W.:
619.76

6 activity values

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3262765

Name:
N-{R-3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-Show More⌵

Mol. Formula:
C35H38F3N3O5

M.W.:
637.70

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3262764

Name:
(S)-N-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-yl]-2-[3-(2-morphShow More⌵

Mol. Formula:
C33H44N4O6

M.W.:
592.74

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
129.37

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3262763

Name:
1-Acetyl-N-{3-{S-1-[S-4-methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamShow More⌵

Mol. Formula:
C34H45N5O6

M.W.:
619.76

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
140.45

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3262762

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C33H43N3O6

M.W.:
577.72

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
126.13

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3262761

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C32H37N3O5S

M.W.:
575.73

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
116.90

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3262760

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C32H37N3O6

M.W.:
559.66

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
130.04

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3262759

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C40H43N3O5

M.W.:
645.80

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3262758

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C38H41N3O5

M.W.:
619.76

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3262757

Name:
4-Isocyano-N-{3-{S-1-[S-4-methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylShow More⌵

Mol. Formula:
C35H38N4O5

M.W.:
594.71

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
140.69

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3262756

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C35H38F3N3O5

M.W.:
637.70

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3262755

Name:
4-Methoxy-N-{3-{S-1-[S-4-methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylaShow More⌵

Mol. Formula:
C35H41N3O6

M.W.:
599.73

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
126.13

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3262754

Name:
4-Fluoro-N-{3-{S-1-[S-4-methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamShow More⌵

Mol. Formula:
C34H38FN3O5

M.W.:
587.69

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3262753

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C34H39N3O5

M.W.:
569.70

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
116.90

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3262752

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C33H38N4O5

M.W.:
570.69

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
129.79

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3262751

Name:
N-{3-{S-1-[S-4-Methyl-1-(R-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino]-1-oxShow More⌵

Mol. Formula:
C32H37N5O5

M.W.:
571.68