Compounds

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5200883

Name:
3-selenocyanato-N-((4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenShow More⌵

Mol. Formula:
C21H17F3N4O3SSe

M.W.:
541.41

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5207892

Name:
6-selenocyanato-N-((4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenShow More⌵

Mol. Formula:
C24H23F3N4O3SSe

M.W.:
583.49

24 activity values

10 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5207489

Name:
2-selenocyanato-N-((4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenShow More⌵

Mol. Formula:
C20H15F3N4O3SSe

M.W.:
527.39

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5175611

Name:
5-selenocyanato-N-((4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenShow More⌵

Mol. Formula:
C23H21F3N4O3SSe

M.W.:
569.47

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4748438

Name:
1,2,3,9-tetramethoxy-6-methylene-5H-cyclohepta[a]naphthalen-8(6H)-one

Mol. Formula:
C20H20O5

M.W.:
340.38

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4551488

Name:
(1R,4aS,10aR)-methyl 6-acetoxy-7-isopropyl-1,4a-dimethyl-9-oxo-1,2,3,4,4a,9Show More⌵

Mol. Formula:
C23H30O5

M.W.:
386.49

30 activity values

18 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
69.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4105506

Name:
(R*)-6-Chloro-3-methylene-4-((S*)-2-oxocyclohexyl)-chroman-2-one

Mol. Formula:
C16H15ClO3

M.W.:
290.75

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4104554

Name:
(R*)-3-Methylene-4-((R*)-4-oxotetrahydro-2H-pyran-3-yl)-chroman-2-one

Mol. Formula:
C15H14O4

M.W.:
258.27

Type:
Small molecule

AlogP:
1.85

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4100412

Name:
(R*)-8-Methoxy-3-methylene-4-((S*)-1-oxo-2,3-dihydro-1H-inden-2-yl)chroman-Show More⌵

Mol. Formula:
C20H16O4

M.W.:
320.34

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4092682

Name:
(R*)-4-((S*)-6-Methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methyleneShow More⌵

Mol. Formula:
C21H18O4

M.W.:
334.37

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4090342

Name:
(R*)-4-((S*)-5-Methoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)-3-methylenechroman-Show More⌵

Mol. Formula:
C20H16O4

M.W.:
320.34

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4090060

Name:
(R*)-8-Methoxy-3-methylene-4-((S*)-2-oxocyclopentyl)-chroman-2-one

Mol. Formula:
C16H16O4

M.W.:
272.30

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4089121

Name:
(R*)-6-Chloro-3-methylene-4-((S*)-2-oxocyclopentyl)-chroman-2-one

Mol. Formula:
C15H13ClO3

M.W.:
276.72

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4086655

Name:
(R)-3-methylene-4-((S)-1-oxo-2,3-dihydro-1H-inden-2-yl)chroman-2-one

Mol. Formula:
C19H14O3

M.W.:
290.32

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4084924

Name:
(R*)-6-Chloro-4-((S*)-6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-3-Show More⌵

Mol. Formula:
C21H17ClO4

M.W.:
368.82

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4081255

Name:
(R*)-8-Methoxy-3-methylene-4-((S*)-2-oxocyclohexyl)-chroman-2-one

Mol. Formula:
C17H18O4

M.W.:
286.33

22 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4073588

Name:
(R*)-6-Chloro-3-methylene-4-((S*)-1-oxo-2,3-dihydro-1H-inden-2-yl)chroman-2Show More⌵

Mol. Formula:
C19H13ClO3

M.W.:
324.76

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4067918

Name:
(R)-3-methylene-4-((S)-2-oxocyclohexyl)chroman-2-one

Mol. Formula:
C16H16O3

M.W.:
256.30