Compounds

ALA2112477

Name:
(S)-N*4*-((S)-1-Carbamoyl-2,2-dimethyl-propyl)-2,N*1*-dihydroxy-3-[(R)-1-(1Show More⌵

Mol. Formula:
C21H31N3O5

M.W.:
405.50

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
141.75

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2111687

Name:
(S)-N*4*-((S)-1-Carbamoyl-2,2-dimethyl-propyl)-2,N*1*-dihydroxy-3-[(S)-1-(1Show More⌵

Mol. Formula:
C21H31N3O5

M.W.:
405.50

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
141.75

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA326555

Name:
(2R,3S)-2-Carbamoylmethylsulfanylmethyl-N*4*-((S)-1-carbamoyl-2-phenyl-ethyShow More⌵

Mol. Formula:
C20H30N4O5S

M.W.:
438.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
164.61

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA325608

Name:
(2R,3S)-2-Benzyl-N*1*-((S)-1-carbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-3-(2-oxShow More⌵

Mol. Formula:
C29H31N3O5S

M.W.:
533.65

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
138.59

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA326814

Name:
(2R,3S)-2-Benzyl-N*1*-((S)-1-carbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-3-{2-[(Show More⌵

Mol. Formula:
C29H32N4O5S

M.W.:
548.67

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
154.11

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA115046

Name:
(2R,3S)-2-Benzyl-N*1*-((S)-1-carbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-3-{2-[(Show More⌵

Mol. Formula:
C30H34N4O5S

M.W.:
562.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
143.11

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA326148

Name:
(2R,3S)-N*4*-((S)-1-Carbamoyl-2-phenyl-ethyl)-2-{2-(4-chloro-phenyl)-2-[(E)Show More⌵

Mol. Formula:
C26H33ClN4O5S

M.W.:
549.09

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
154.11

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA433197

Name:
(2R,3S)-2-(2-Biphenyl-4-yl-2-oxo-ethylsulfanylmethyl)-N*1*-hydroxy-3-isobutShow More⌵

Mol. Formula:
C33H39N3O5S

M.W.:
589.76

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
124.60

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA324295

Name:
(2R,3S)-N*4*-((S)-1-Carbamoyl-2-phenyl-ethyl)-2-cyanomethylsulfanylmethyl-NShow More⌵

Mol. Formula:
C20H28N4O4S

M.W.:
420.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
145.31

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA118054

Name:
[(2S,3R)-3-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-hydroxycarbamoyl-5-mShow More⌵

Mol. Formula:
C21H31N3O6S

M.W.:
453.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.89

Polar Surface Area:
147.82

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA440712

Name:
Thioacetic acid S-[(2S,3R)-3-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-hyShow More⌵

Mol. Formula:
C20H29N3O5S

M.W.:
423.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
138.59

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA326985

Name:
(R)-N*1*-((S)-1-Carbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-2-isobutyl-succinamiShow More⌵

Mol. Formula:
C17H25N3O4

M.W.:
335.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.76

Polar Surface Area:
121.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA324723

Name:
(2R,3S)-N*1*-((S)-1-Carbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-2-isobutyl-3-merShow More⌵

Mol. Formula:
C18H27N3O4S

M.W.:
381.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
121.52

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA117823

Name:
[(2S,3R)-3-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-hydroxycarbamoyl-5-mShow More⌵

Mol. Formula:
C20H29N3O6S

M.W.:
439.53

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
158.82

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA115674

Name:
(R)-2-Benzyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-succiShow More⌵

Mol. Formula:
C21H25N3O4

M.W.:
383.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA116506

Name:
(2R,3S)-N*4*-Hydroxy-2-isobutyl-3-{2-[(E)-methoxyimino]-2-phenyl-ethylsulfaShow More⌵

Mol. Formula:
C28H38N4O5S

M.W.:
542.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
129.12

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA116435

Name:
(2R,3S)-N*4*-((S)-1-Carbamoyl-2-phenyl-ethyl)-N*1*-hydroxy-2-{2-[(E)-hydroxShow More⌵

Mol. Formula:
C26H34N4O5S

M.W.:
514.65

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
154.11

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA113764

Name:
(2R,3S)-2-Benzyl-N*1*-((S)-1-carbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-3-(thioShow More⌵

Mol. Formula:
C25H27N3O4S2

M.W.:
497.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
121.52

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA424251

Name:
(2R,3S)-N*1*-((S)-1-Carbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-2-isobutyl-3-(thShow More⌵

Mol. Formula:
C22H29N3O4S2

M.W.:
463.63

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
121.52

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA114427

Name:
(2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)Show More⌵

Mol. Formula:
C25H33N3O4S

M.W.:
471.62

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
107.53

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS