Compounds

ALA73450

Name:
(2S,3R,5R,6R)-6-Bromo-3-methyl-3-(1-methyl-1H-imidazol-2-ylsulfanylmethyl)-Show More⌵

Mol. Formula:
C12H14BrN3O3S2

M.W.:
392.30

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
1.40

Polar Surface Area:
75.43

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA305908

Name:
(2S,3R,5R,6R)-6-Bromo-3-methyl-7-oxo-3-(1H-[1,2,4]triazol-3-ylsulfanylmethyShow More⌵

Mol. Formula:
C10H11BrN4O3S2

M.W.:
379.26

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
0.79

Polar Surface Area:
99.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA415266

Name:
(2S,3R,5R,6R)-6-Bromo-3-methyl-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-Show More⌵

Mol. Formula:
C10H12BrN5O3S2

M.W.:
394.28

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
0.19

Polar Surface Area:
101.21

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA310221

Name:
(2S,3R,5R,6R)-6-Bromo-3-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)-3-methyl-7Show More⌵

Mol. Formula:
C11H13BrN2O3S3

M.W.:
397.34

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
69.97

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA73622

Name:
(2S,5R,6R)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-Show More⌵

Mol. Formula:
C8H10BrNO3S

M.W.:
280.14

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
0.90

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA72972

Name:
(2S,3R,5R)-3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-3-methyl-4,4,7-trioxo-4lShow More⌵

Mol. Formula:
C15H15N3O5S2

M.W.:
381.44

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
0.85

Polar Surface Area:
120.43

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA302241

Name:
(2S,3R,5R)-3-Methyl-3-(1-methyl-1H-imidazol-2-ylsulfanylmethyl)-4,4,7-trioxShow More⌵

Mol. Formula:
C12H15N3O5S2

M.W.:
345.40

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
109.57

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA302512

Name:
(2S,3R,5R)-3-Methyl-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-4,4,7-trioxShow More⌵

Mol. Formula:
C10H13N5O5S2

M.W.:
347.38

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
-1.50

Polar Surface Area:
135.35

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA70269

Name:
(2S,3R,5R,6R)-3-(Benzooxazol-2-ylsulfanylmethyl)-6-bromo-3-methyl-7-oxo-4-tShow More⌵

Mol. Formula:
C15H13BrN2O4S2

M.W.:
429.32

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
83.64

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA308516

Name:
(2S,3R,5R,6R)-3-(Benzothiazol-2-ylsulfanylmethyl)-6-bromo-3-methyl-7-oxo-4-Show More⌵

Mol. Formula:
C15H13BrN2O3S3

M.W.:
445.39

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
70.50

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA423309

Name:
(2S,3R,5R)-3-Methyl-3-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-4,4,7Show More⌵

Mol. Formula:
C11H14N4O5S2

M.W.:
346.39

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
-0.89

Polar Surface Area:
122.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA72046

Name:
(2S,3R,5R)-3-(4,5-Dihydro-thiazol-2-ylsulfanylmethyl)-3-methyl-4,4,7-trioxoShow More⌵

Mol. Formula:
C11H14N2O5S3

M.W.:
350.44

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
0.02

Polar Surface Area:
104.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA309009

Name:
(2S,3R,5R)-3-(Benzooxazol-2-ylsulfanylmethyl)-3-methyl-4,4,7-trioxo-4lambdaShow More⌵

Mol. Formula:
C15H14N2O6S2

M.W.:
382.42

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
117.78

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS