Compounds

ALA5272659

Name:
3-(9H-Fluoren-9-yl)-1-phenethylpyrrolidine

Mol. Formula:
C25H25N

M.W.:
339.48

Type:
---

AlogP:
5.36

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5272003

Name:
1-Benzyl-3-(9H-fluoren-9-yl)pyrrolidine

Mol. Formula:
C24H23N

M.W.:
325.45

Type:
---

AlogP:
5.32

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5271710

Name:
1-Benzoyl-3-(9H-fluoren-9-yl)pyrrolidin-2-one

Mol. Formula:
C24H19NO2

M.W.:
353.42

Type:
---

AlogP:
4.49

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5269283

Name:
4-(((9H-fluoren-9-yl)sulfonyl)methyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C25H23N3O5S

M.W.:
477.54

Type:
---

AlogP:
3.98

Polar Surface Area:
92.54

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5268288

Name:
1-(4-Chlorobenzyl)-3-(9H-fluoren-9-yl)pyrrolidine

Mol. Formula:
C24H22ClN

M.W.:
359.90

Type:
---

AlogP:
5.97

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5282370

Name:
3-(9H-Fluoren-9-yl)-1-(4-fluorophenyl)-2-pyrrolidinone

Mol. Formula:
C23H18FNO

M.W.:
343.40

Type:
---

AlogP:
4.99

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5280966

Name:
3-(9H-Fluorene-9-yl)-1-phenethyl-2-pyrrolidinone

Mol. Formula:
C25H23NO

M.W.:
353.47

Type:
---

AlogP:
4.89

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5280482

Name:
1-(3-(9H-Fluoren-9-yl)pyrrolidin-1-yl)nonan-1-one

Mol. Formula:
C26H33NO

M.W.:
375.56

Type:
---

AlogP:
6.40

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5278300

Name:
(3-(9H-fluoren-9-yl)pyrrolidin-1-yl)(phenyl)methanone

Mol. Formula:
C24H21NO

M.W.:
339.44

Type:
---

AlogP:
4.96

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5277310

Name:
1-(3,5-dichlorophenyl)-3-(9H-fluoren-9-yl)pyrrolidine

Mol. Formula:
C23H19Cl2N

M.W.:
380.32

Type:
---

AlogP:
6.63

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5276401

Name:
3-(9H-Fluoren-9-yl)-1-nonyl-2-pyrrolidinone

Mol. Formula:
C26H33NO

M.W.:
375.56

Type:
---

AlogP:
6.40

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5274724

Name:
3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one

Mol. Formula:
C26H31NO2

M.W.:
389.54

Type:
---

AlogP:
5.92

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5284669

Name:
3-(9H-Fluoren-9-yl)-1-nonylpyrrolidine

Mol. Formula:
C26H35N

M.W.:
361.57

Type:
---

AlogP:
6.87

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5284077

Name:
(4S)-4-[(2E)-3,7-dimethyl-5-oxo-octa-2,6-dienyl]-3-methylene-tetrahydrofuraShow More⌵

Mol. Formula:
C15H20O3

M.W.:
248.32

Type:
---

AlogP:
2.98

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5291250

Name:

Mol. Formula:
C28H24O4

M.W.:
424.50

Type:
---

AlogP:
6.57

Polar Surface Area:
58.92

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5290259

Name:
3-(9H-Fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine

Mol. Formula:
C23H20FN

M.W.:
329.42

Type:
---

AlogP:
5.46

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5277710

Name:
1-Benzyl-3-(9H-fluoren-9-yl)pyrrolidin-2-one

Mol. Formula:
C24H21NO

M.W.:
339.44

Type:
---

AlogP:
4.85

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5266841

Name:
1-(4-Chlorobenzyl)-3-(9H-fluoren-9-yl)pyrrolidin-2-one

Mol. Formula:
C24H20ClNO

M.W.:
373.88

Type:
---

AlogP:
5.50

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5190515

Name:
2-((2-(ethylsulfonyl)-1-hydroxy-1,2-dihydrobenzo[d][1,2,3]diazaborinin-7-ylShow More⌵

Mol. Formula:
C17H15BF3N3O5S

M.W.:
441.20

18 activity values

4 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5174930

Name:
2-((1-hydroxy-2-(methylsulfonyl)-1,2-dihydrobenzo[d][1,2,3]diazaborinin-7-yShow More⌵

Mol. Formula:
C16H13BF3N3O5S

M.W.:
427.17

3 activity values

3 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS