Compounds

Type:
Unknown

AlogP:
0.46

Polar Surface Area:
148.43

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4548064

Name:
2-[3-[2-[(2-deoxy-2-acetamido-beta-D-glucopyranosy
Show More⌵

Mol. Formula:
C25H30BrN3O7S

M.W.:
596.50

Type:
Unknown

AlogP:
0.85

Polar Surface Area:
148.43

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4546366

Name:
(3aR,5S,6S,7aR)-5-(Difluoromethyl)-2-(dimethylamin
Show More⌵

Mol. Formula:
C9H14F2N2O2S

M.W.:
252.29

3 activity values

Type:
Unknown

AlogP:
0.76

Polar Surface Area:
45.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4558000

Name:
2-[3-[2-[(2-deoxy-2-acetamido-beta-D-glucopyranosy
Show More⌵

Mol. Formula:
C27H36N4O7S

M.W.:
560.67

Type:
Unknown

AlogP:
0.16

Polar Surface Area:
151.67

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4555514

Name:
2-[3-[3-[(2-deoxy-2-acetamido-beta-D-glucopyranosy
Show More⌵

Mol. Formula:
C26H32BrN3O7S

M.W.:
610.53

Type:
Unknown

AlogP:
1.25

Polar Surface Area:
148.43

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4554433

Name:
2-[2-[3-[(2-deoxy-2-acetamido-beta-D-glucopyranosy
Show More⌵

Mol. Formula:
C27H36N4O7S

M.W.:
560.67

Type:
Unknown

AlogP:
0.16

Polar Surface Area:
151.67

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4552866

Name:
(3aR,5R,6S,7aR)-2-Amino-5-(hydroxymethyl)-5,6,7,7a
Show More⌵

Mol. Formula:
C7H12N2O3S

M.W.:
204.25

Type:
Unknown

AlogP:
-1.12

Polar Surface Area:
88.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4540913

Name:
2-[2-[3-[(2-deoxy-2-acetamido-beta-D-glucopyranosy
Show More⌵

Mol. Formula:
C25H30BrN3O7S

M.W.:
596.50

Type:
Unknown

AlogP:
0.85

Polar Surface Area:
148.43

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4530018

Name:
(3aR,5R,6S,7R,7aR)-5-(Hydroxymethyl)-2-(piperidin-
Show More⌵

Mol. Formula:
C12H20N2O4S

M.W.:
288.37

Type:
Unknown

AlogP:
-0.62

Polar Surface Area:
85.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4513613

Name:
(3aR,5S,6S,7R,7aR)-2-Amino-5-(difluoromethyl)-5,6,
Show More⌵

Mol. Formula:
C7H10F2N2O3S

M.W.:
240.23

4 activity values

Type:
Unknown

AlogP:
-0.87

Polar Surface Area:
88.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4476839

Name:
(3aR,5S,6R,7S,7aR)-7-Fluoro-5-(fluoromethyl)-2-(me
Show More⌵

Mol. Formula:
C8H12F2N2O2S

M.W.:
238.26

11 activity values

Type:
Unknown

AlogP:
0.07

Polar Surface Area:
53.85

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4474133

Name:
2-[3-[3-[(2-deoxy-2-acetamido-beta-D-glucopyranosy
Show More⌵

Mol. Formula:
C26H32N4O9S

M.W.:
576.63

Type:
Unknown

AlogP:
0.39

Polar Surface Area:
191.57

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4545886

Name:
(3aR,5R,6S,7R,7aR)-2-(Azetidin-1-yl)-5-(hydroxymet
Show More⌵

Mol. Formula:
C10H16N2O4S

M.W.:
260.31

8 activity values

Type:
Unknown

AlogP:
-1.40

Polar Surface Area:
85.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4541985

Name:
(3aR,5R,6S,7R,7aR)-5-(Hydroxymethyl)-2-(3-methylaz
Show More⌵

Mol. Formula:
C11H18N2O4S

M.W.:
274.34

3 activity values

Type:
Unknown

AlogP:
-1.15

Polar Surface Area:
85.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4518942

Name:
2-[2-[3-[(2-deoxy-2-acetamido-beta-D-glucopyranosy
Show More⌵

Mol. Formula:
C25H30N4O9S

M.W.:
562.60

Type:
Unknown

AlogP:
0.00

Polar Surface Area:
191.57

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4516713

Name:
(3aR,5R,6S,7aR)-5-(Hydroxymethyl)-2-(methylamino)-
Show More⌵

Mol. Formula:
C8H14N2O3S

M.W.:
218.28

8 activity values

Type:
Unknown

AlogP:
-0.85

Polar Surface Area:
74.08

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4586062

Name:
(3aR,5S,6S,7R,7aR)-5-(Fluoromethyl)-2-(propylamino
Show More⌵

Mol. Formula:
C10H17FN2O3S

M.W.:
264.32

Type:
Unknown

AlogP:
-0.13

Polar Surface Area:
74.08

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4583010

Name:
(3aR,5R,6R,7R,7aR)-7-Fluoro-5-(hydroxymethyl)-2-(p
Show More⌵

Mol. Formula:
C10H17FN2O3S

M.W.:
264.32

8 activity values

Type:
Unknown

AlogP:
-0.13

Polar Surface Area:
74.08

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4578331

Name:
(3aR,5R,6S,7R,7aR)-2-(4-Fluoropiperidin-1-yl)-5-(h
Show More⌵

Mol. Formula:
C12H19FN2O4S

M.W.:
306.36

Type:
Unknown

AlogP:
-0.67

Polar Surface Area:
85.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4576476

Name:
(3aR,5R,6R,7R,7aR)-2-(Dimethylamino)-7-fluoro-5-(h
Show More⌵

Mol. Formula:
C9H15FN2O3S

M.W.:
250.29