Compounds

Type:
---

AlogP:
4.91

Polar Surface Area:
26.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5220445

Name:
1-(Bis(pyridin-2-ylmethyl)amino)-3-((9-propyl-9H-carbazol-4-yl)-oxy)propan-Show More⌵

Mol. Formula:
C30H32N4O2

M.W.:
480.61

Type:
---

AlogP:
5.44

Polar Surface Area:
63.41

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5220398

Name:
1-(Bis(pyridin-2-ylmethyl)amino)-3-((9-(4,4,4-trifluorobutyl)-9Hcarbazol-4-Show More⌵

Mol. Formula:
C31H31F3N4O2

M.W.:
548.61

Type:
---

AlogP:
6.37

Polar Surface Area:
63.41

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5220388

Name:
1-(Bis(pyridin-2-ylmethyl)amino)-3-((9-heptyl-9H-carbazol-4-yl)-oxy)propan-Show More⌵

Mol. Formula:
C34H40N4O2

M.W.:
536.72

Type:
---

AlogP:
7.00

Polar Surface Area:
63.41

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5220288

Name:
1-(Bis(pyridin-2-ylmethyl)amino)-3-((9-pentyl-9H-carbazol-4-yl)-oxy)propan-Show More⌵

Mol. Formula:
C32H36N4O2

M.W.:
508.67

Type:
---

AlogP:
6.22

Polar Surface Area:
63.41

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5280259

Name:
1-(2-((1R,2R)-1,2-dihydroxypropyl)-8-hydroxybenzo[de]chromen-7-yl)ethan-1-oShow More⌵

Mol. Formula:
C17H16O5

M.W.:
300.31

Type:
---

AlogP:
2.22

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5280229

Name:
1-(2-((1S,2R)-1,2-dihydroxypropyl)-8-hydroxybenzo[de]chromen-7-yl)ethan-1-oShow More⌵

Mol. Formula:
C17H16O5

M.W.:
300.31

Type:
---

AlogP:
2.22

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5275474

Name:
1-(2-((1R,2S)-1,2-dihydroxypropyl)-8-hydroxybenzo[de]chromen-7-yl)ethan-1-oShow More⌵

Mol. Formula:
C17H16O5

M.W.:
300.31

Type:
---

AlogP:
2.22

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5274400

Name:
1-(7-acetyl-8-hydroxybenzo[de]chromen-2-yl)propan-2-one

Mol. Formula:
C17H14O4

M.W.:
282.30

Type:
---

AlogP:
3.46

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5291324

Name:
1-(8-hydroxy-2-(hydroxymethyl)benzo[de]chromen-7-yl)ethan-1-one

Mol. Formula:
C15H12O4

M.W.:
256.26

Type:
---

AlogP:
2.47

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5287769

Name:
1-(8-hydroxy-2-methylbenzo[de]chromen-7-yl)ethan-1-one

Mol. Formula:
C15H12O3

M.W.:
240.26

Type:
---

AlogP:
3.50

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5267791

Name:
7-acetyl-8-hydroxybenzo[de]chromene-2-carbaldehyde

Mol. Formula:
C15H10O4

M.W.:
254.24

Type:
---

AlogP:
2.68

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5198504

Name:
(R)-3-(3-fluoro-4-(3-(2-oxoimidazolidin-1-yl)prop-1-yn-1-yl)phenyl)-5-(hydrShow More⌵

Mol. Formula:
C16H16FN3O4

M.W.:
333.32

12 activity values

3 unique targets

Type:
---

AlogP:
0.52

Polar Surface Area:
82.11

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5198067

Name:
N-(4-amino-6-fluoropyrimidin-2-yl)tetradecanamide

Mol. Formula:
C18H31FN4O

M.W.:
338.47

1 activity values

1 unique targets

Type:
---

AlogP:
4.84

Polar Surface Area:
80.90

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5198035

Name:
N-(4,6-difluoropyrimidin-2-yl)tetradecanamide

Mol. Formula:
C18H29F2N3O

M.W.:
341.45

1 activity values

1 unique targets

Type:
---

AlogP:
5.39

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5197931

Name:
(R)-3-(3-fluoro-4-(2-(pyrrolidin-1-yl)pyridin-4-yl)phenyl)-5-(hydroxymethylShow More⌵

Mol. Formula:
C19H20FN3O3

M.W.:
357.39

13 activity values

Type:
---

AlogP:
2.81

Polar Surface Area:
65.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5197646

Name:
(R,E)-2'-fluoro-N'-hydroxy-4'-(5-(hydroxymethyl)-2-oxooxazolidin-3-yl)-[1,1Show More⌵

Mol. Formula:
C17H16FN3O4

M.W.:
345.33

14 activity values

Type:
---

AlogP:
1.90

Polar Surface Area:
108.38

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5197461

Name:
2,4,6-trimethyl-N-(pyrimidin-2-yl)benzamide

Mol. Formula:
C14H15N3O

M.W.:
241.29

2 activity values

1 unique targets

Type:
---

AlogP:
2.65

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA5196762

Name:
(R)-3-(2-fluoro-4'-(pyridin-3-yl)-[1,1'-biphenyl]-4-yl)-5-(hydroxymethyl)oxShow More⌵

Mol. Formula:
C21H17FN2O3

M.W.:
364.38

14 activity values

Type:
---

AlogP:
3.87

Polar Surface Area:
62.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5196659

Name:
(R)-3-(2'-fluoro-4'-(5-(hydroxymethyl)-2-oxooxazolidin-3-yl)-[1,1'-biphenylShow More⌵

Mol. Formula:
C22H20ClFN2O3

M.W.:
414.86

20 activity values