Compounds

ALA5267592

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-yl)-N-((3,5-dichlorobenzylShow More⌵

Mol. Formula:
C21H18Cl2N4O5S

M.W.:
509.37

Type:
---

AlogP:
2.79

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5267193

Name:
N-(Benzylsulfonyl)-1-(3-cyano-6-methyl-5-oxo-6,7-dihydro-5Hpyrrolo[3,4-b]pyShow More⌵

Mol. Formula:
C22H23N5O4S

M.W.:
453.52

Type:
---

AlogP:
1.40

Polar Surface Area:
123.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5266849

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-yl)-4-fluoro-N-((4-methylbShow More⌵

Mol. Formula:
C22H21FN4O5S

M.W.:
472.50

Type:
---

AlogP:
1.89

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5266816

Name:
(7S,13aR)-9-(((3-fluorophenyl)sulfonyl)oxy)-3,10-dimethoxy-5,6,7,8,13,13a-hShow More⌵

Mol. Formula:
C25H25ClFNO5S

M.W.:
506.00

Type:
---

AlogP:
2.85

Polar Surface Area:
66.27

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5266707

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-yl)-N-((4-methylbenzyl)sulShow More⌵

Mol. Formula:
C22H22N4O5S

M.W.:
454.51

Type:
---

AlogP:
1.79

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5220940

Name:
N-[2-(5-nitrothiazolyl)]cantharidinimide

Mol. Formula:
C13H13N3O5S

M.W.:
323.33

2 activity values

2 unique targets

Type:
---

AlogP:
1.50

Polar Surface Area:
102.64

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5280034

Name:
4-imino-3-(4-methoxyphenyl)-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chrShow More⌵

Mol. Formula:
C26H25N3O3

M.W.:
427.50

Type:
---

AlogP:
4.53

Polar Surface Area:
77.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5279535

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-yl)-N-((1-phenylcyclopropyShow More⌵

Mol. Formula:
C23H22N4O5S

M.W.:
466.52

Type:
---

AlogP:
1.98

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5279194

Name:
N-(Benzylsulfonyl)-1-(3-cyano-6-fluoro-5-oxo-5,6,7,8-tetrahydroquinolin-2-yShow More⌵

Mol. Formula:
C23H23FN4O4S

M.W.:
470.53

Type:
---

AlogP:
2.28

Polar Surface Area:
120.23

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5279163

Name:
N-(Benzylsulfonyl)-1-(3-cyano-7-methyl-5-oxo-5,7-dihydrofuro-[3,4-b]pyridinShow More⌵

Mol. Formula:
C21H20N4O5S

M.W.:
440.48

Type:
---

AlogP:
1.66

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279131

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-yl)-N-((4-cyanobenzyl)sulfShow More⌵

Mol. Formula:
C22H19N5O5S

M.W.:
465.49

Type:
---

AlogP:
1.36

Polar Surface Area:
153.25

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5278996

Name:
N-(Benzylsulfonyl)-1-(3-cyano-5-oxo-7,8-dihydro-5H-pyrano-[4,3-b]pyridin-2-Show More⌵

Mol. Formula:
C22H22N4O5S

M.W.:
454.51

Type:
---

AlogP:
1.53

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5278331

Name:
9,9-dimethyl-12-phenyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-cShow More⌵

Mol. Formula:
C20H18N4O2

M.W.:
346.39

Type:
---

AlogP:
3.29

Polar Surface Area:
69.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5278228

Name:
N-((1S,2R)-2-((4-bromo-2-(methylcarbamoyl)-6-nitrophenyl)amino)cyclohexyl)-Show More⌵

Mol. Formula:
C25H25BrN4O4

M.W.:
525.40

Type:
---

AlogP:
5.02

Polar Surface Area:
113.37

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5277057

Name:
2-(9,9-dimethyl-11-oxo-12-phenyl-9,10,11,12-tetrahydro-8H-chromeno[3,2-e][1Show More⌵

Mol. Formula:
C22H19N5O2

M.W.:
385.43

Type:
---

AlogP:
3.36

Polar Surface Area:
93.17

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5276703

Name:
N-((4-Chlorobenzyl)sulfonyl)-1-(3-cyano-5-oxo-5,7-dihydrofuro-[3,4-b]pyridiShow More⌵

Mol. Formula:
C21H19ClN4O5S

M.W.:
474.93

Type:
---

AlogP:
2.14

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5276427

Name:
N-((5-Chlorothiophen-2-yl)sulfonyl)-1-(3-cyano-5-oxo-5,7-dihydrofuro[3,4-b]Show More⌵

Mol. Formula:
C18H15ClN4O5S2

M.W.:
466.93

Type:
---

AlogP:
2.06

Polar Surface Area:
129.46

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5276293

Name:
[4-(butanoylamino)phenyl] pyridine-4-carboxylate

Mol. Formula:
C16H16N2O3

M.W.:
284.32

Type:
---

AlogP:
3.04

Polar Surface Area:
68.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5276206

Name:
N-((4-Chlorobenzyl)sulfonyl)-1-(3-cyano-5-oxo-5,7-dihydrofuro-[3,4-b]pyridiShow More⌵

Mol. Formula:
C22H21ClN4O5S

M.W.:
488.95

Type:
---

AlogP:
2.53

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5276199

Name:
1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-yl)-N-((3-fluorobenzyl)sulShow More⌵

Mol. Formula:
C21H19FN4O5S

M.W.:
458.47

Type:
---

AlogP:
1.63

Polar Surface Area:
129.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS