Compounds

Type:
---

AlogP:
6.84

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5182135

Name:
1-((S)-5-(4-fluorophenyl)-3-((3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyShow More⌵

Mol. Formula:
C30H37FN2O2

M.W.:
476.64

Type:
---

AlogP:
6.34

Polar Surface Area:
52.90

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4535229

Name:
(8S,9S,10R,13S,14S,17S)-N-tert-butyl-3-fluoro-10,13-dimethyl-2,7,8,9,10,11,Show More⌵

Mol. Formula:
C24H36FNO

M.W.:
373.56

Type:
Unknown

AlogP:
5.94

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3349293

Name:
1',4a',6a'-trimethylspiro[tetrahydrofuran-2,7'-perhydroindeno[5,4-f]quinoliShow More⌵

Mol. Formula:
C22H35NO2

M.W.:
345.53

5 activity values

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3349292

Name:
N-(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-acetamShow More⌵

Mol. Formula:
C21H34N2O2

M.W.:
346.51

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3349290

Name:
4a',6a'-dimethylspiro[tetrahydrofuran-2,7'-perhydroindeno[5,4-f]quinoline]-Show More⌵

Mol. Formula:
C21H33NO2

M.W.:
331.50

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3349288

Name:
N,N-Diethyl-2-(1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-Show More⌵

Mol. Formula:
C25H40N2O2

M.W.:
400.61

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3349181

Name:
4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acidShow More⌵

Mol. Formula:
C23H38N2O2

M.W.:
374.57

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3349180

Name:
1',4a'-dimethylspiro[tetrahydrofuran-2,7'-(2',3',4',4a',4b',5',6',6a',7',8'Show More⌵

Mol. Formula:
C21H31NO2

M.W.:
329.48

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3349170

Name:
1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic aShow More⌵

Mol. Formula:
C24H40N2O2

M.W.:
388.60

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3349169

Name:
1,4a,6a-Trimethyl-2-oxo-octadecahydro-1,3-diaza-chrysene-7-carboxylic acid Show More⌵

Mol. Formula:
C24H41N3O2

M.W.:
403.61

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
52.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3349168

Name:
4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acidShow More⌵

Mol. Formula:
C23H38N2O2

M.W.:
374.57

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3349167

Name:
1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic aShow More⌵

Mol. Formula:
C24H40N2O4

M.W.:
420.59

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3349166

Name:
1,4a,6a-Trimethyl-2-oxo-hexadecahydro-3-oxa-1-aza-chrysene-7-carboxylic aciShow More⌵

Mol. Formula:
C24H40N2O3

M.W.:
404.60

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3349165

Name:
1,4a,6a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydroShow More⌵

Mol. Formula:
C20H30N2O2

M.W.:
330.47

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3349164

Name:
7-(4,5-Dihydro-oxazol-2-yl)-1,4a,6a-trimethyl-hexadecahydro-indeno[5,4-f]quShow More⌵

Mol. Formula:
C22H34N2O2

M.W.:
358.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
41.90

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3349163

Name:
7-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-1,4a,6a-trimethyl-hexadecahydro-inShow More⌵

Mol. Formula:
C24H38N2O2

M.W.:
386.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
41.90

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3349162

Name:
4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1HShow More⌵

Mol. Formula:
C27H44N2O2

M.W.:
428.66

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3349161

Name:
1,4a,6a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydroShow More⌵

Mol. Formula:
C28H46N2O2

M.W.:
442.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3349160

Name:
1,4a,6a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydroShow More⌵

Mol. Formula:
C24H38N2O2

M.W.:
386.58