Compounds

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA240911

Name:
2-deoxy-6-O-{2-deoxy-3-O-[(R)-3-hydroxy-tetradecan
Show More⌵

Mol. Formula:
C104H196N2O18

M.W.:
1762.71

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA437387

Name:
2-deoxy-6-O-{2-deoxy-3-O-[(R)-3-hydroxy-tetradecan
Show More⌵

Cas Number:
945530-71-2

Mol. Formula:
C104H196N2O19

M.W.:
1778.71

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA339141

Name:
(R)-1-[4-(4-Fluoro-phenyl)-3,6-dihydro-2H-pyridine
Show More⌵

Mol. Formula:
C21H28FN5O6S

M.W.:
497.55

Type:
Small molecule

AlogP:
0.10

Polar Surface Area:
122.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA339766

Name:
(R)-4-Dimethylsulfamoyl-1-[4-(4-fluoro-phenyl)-3,6
Show More⌵

Mol. Formula:
C18H26FN5O6S2

M.W.:
491.57

Type:
Small molecule

AlogP:
-0.54

Polar Surface Area:
130.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA128844

Name:
(R)-1-[4-(4-Fluoro-phenyl)-3,6-dihydro-2H-pyridine
Show More⌵

Mol. Formula:
C16H21FN4O4S

M.W.:
384.43

Type:
Small molecule

AlogP:
-0.06

Polar Surface Area:
101.98

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA338537

Name:
(R)-4-[4-(4-Fluoro-phenyl)-3,6-dihydro-2H-pyridine
Show More⌵

Mol. Formula:
C19H26FN5O5S

M.W.:
455.51

26 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
113.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA341128

Name:
(R)-4-[4-(4-Fluoro-phenyl)-3,6-dihydro-2H-pyridine
Show More⌵

Mol. Formula:
C18H24FN5O5S

M.W.:
441.49

Type:
Small molecule

AlogP:
-0.01

Polar Surface Area:
122.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA341300

Name:
(R)-1-[4-(3-Methoxy-phenyl)-3,6-dihydro-2H-pyridin
Show More⌵

Mol. Formula:
C18H25N3O5S

M.W.:
395.48

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
99.18

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA128752

Name:
(R)-1-[4-(4-Bromo-phenyl)-3,6-dihydro-2H-pyridine-
Show More⌵

Mol. Formula:
C17H22BrN3O4S

M.W.:
444.35

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
89.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA338193

Name:
(R)-2-[4-(4-Chloro-phenyl)-piperidine-1-sulfonylam
Show More⌵

Mol. Formula:
C14H20ClN3O4S

M.W.:
361.85

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
98.74

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA126563

Name:
(R)-1-[4-(4-Propyl-phenyl)-3,6-dihydro-2H-pyridine
Show More⌵

Mol. Formula:
C20H29N3O4S

M.W.:
407.54

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
89.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA127054

Name:
(R)-1-(4-Phenyl-3,6-dihydro-2H-pyridine-1-sulfonyl
Show More⌵

Mol. Formula:
C17H23N3O4S

M.W.:
365.45

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
89.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA129394

Name:
(R)-1-[4-(4-Fluoro-phenyl)-3,6-dihydro-2H-pyridine
Show More⌵

Mol. Formula:
C17H22FN3O4S

M.W.:
383.45

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
89.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA129340

Name:
(R)-2-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridine
Show More⌵

Mol. Formula:
C14H18ClN3O4S

M.W.:
359.84

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
98.74

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA339268

Name:
(R)-1-[4-(4-Phenoxy-phenyl)-3,6-dihydro-2H-pyridin
Show More⌵

Mol. Formula:
C23H27N3O5S

M.W.:
457.55

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
99.18

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA341309

Name:
(R)-1-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridine
Show More⌵

Mol. Formula:
C17H22ClN3O4S

M.W.:
399.90