Compounds

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
95.08

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA217494

Name:
N-hydroxy-5-(3,4-dihydro-4-oxo-6-phenyl-2-pyrimidinylthio)pentanamide

Mol. Formula:
C15H17N3O3S

M.W.:
319.39

14 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
95.08

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA218027

Name:
6-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-hexanoic acid hydroxyShow More⌵

Mol. Formula:
C17H21N3O3S

M.W.:
347.44

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
95.08

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA214837

Name:
N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1,1-diphenylmethyl)-2-pyrimidinylthio)hexShow More⌵

Mol. Formula:
C23H25N3O3S

M.W.:
423.54

4 activity values

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA384013

Name:
N-hydroxy-4-(3,4-dihydro-4-oxo-6-phenyl-2-pyrimidinylthio)butanamide

Mol. Formula:
C14H15N3O3S

M.W.:
305.36

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA217449

Name:
N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1-phenyl-1-cyclopropyl)-2-pyrimidinylthioShow More⌵

Mol. Formula:
C19H23N3O3S

M.W.:
373.48

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA413733

Name:
N-hydroxy-3-(3,4-dihydro-4-oxo-6-phenyl-2-pyrimidinylthio)propanamide

Mol. Formula:
C13H13N3O3S

M.W.:
291.33

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA217192

Name:
N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1-phenyl-1-methoxymethyl)-2-pyrimidinylthShow More⌵

Mol. Formula:
C18H23N3O4S

M.W.:
377.47

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
104.57

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA217191

Name:
N-hydroxy-3-(3,4-dihydro-4-oxo-6-pheyl-2-pyrimidinylthio)-2-propenamide

Mol. Formula:
C13H11N3O3S

M.W.:
289.32

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA216065

Name:
N-hydroxy-8-(3,4-dihydro-4-oxo-6-phenethyl-2-pyrimidinylthio)octanamide

Mol. Formula:
C20H27N3O3S

M.W.:
389.52

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA216064

Name:
N-hydroxy-6-[(3,4-dihydro-4-oxo-6-(1-phenylpropyl)-2-pyrimidinylthio]hexanaShow More⌵

Mol. Formula:
C19H25N3O3S

M.W.:
375.49

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA217846

Name:
N-hydroxy-7-(3,4-dihydro-4-oxo-6-phenethyl-2-pyrimidinylthio)heptanamide

Mol. Formula:
C19H25N3O3S

M.W.:
375.49

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA217791

Name:
N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1-phenylethyl)-2-pyrimidinylthio)hexanamiShow More⌵

Mol. Formula:
C18H23N3O3S

M.W.:
361.47

4 activity values

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA216875

Name:
N-hydroxy-5-(3,4-dihydro-4-oxo-6-phenethyl-2-pyrimidinylthio)pentanamide

Mol. Formula:
C17H21N3O3S

M.W.:
347.44

4 activity values

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA216118

Name:
N-hydroxy-4-(3,4-dihydro-4-oxo-6-phenethyl-2-pyrimidinylthio)butanamide

Mol. Formula:
C16H19N3O3S

M.W.:
333.41

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA216147

Name:
N-hydroxy-4-(3,4-dihydro-6-phenyl-4-oxopyrimidin-2-ylthio)methylcinnamylamiShow More⌵

Mol. Formula:
C20H17N3O3S

M.W.:
379.44

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA214877

Name:
N-hydroxy-3-(3,4-dihydro-4-oxo-6-phenethyl-2-pyrimidinylthio)propanamide

Mol. Formula:
C15H17N3O3S

M.W.:
319.39

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA214533

Name:
N-hydroxy-3-(3,4-dihydro-6-phenyl-4-oxopyrimidin-2-ylthio)methylcinnamylamiShow More⌵

Mol. Formula:
C20H17N3O3S

M.W.:
379.44

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA384062

Name:
N-hydroxy-3-(3,4-dihydro-4-oxo-6-phenethyl-2-pyrimidinylthio)-2-propenamide

Mol. Formula:
C15H15N3O3S

M.W.:
317.37

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
95.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA217858

Name:
N-hydroxy-2-(3,4-dihydro-6-phenyl-4-oxopyrimidin-2-ylthio)methylcinnamylamiShow More⌵

Mol. Formula:
C20H17N3O3S

M.W.:
379.44

5 activity values