Compounds

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
60.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3349510

Name:
1-Amino-4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydShow More⌵

Mol. Formula:
C23H37N3O2

M.W.:
387.57

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
66.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3349289

Name:
1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7'-perhydroindeno[5,4-f]quShow More⌵

Mol. Formula:
C23H37NO2

M.W.:
359.55

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3349210

Name:
9a,11a-dimethylspiro[perhydrocyclopenta[a]phenanthrene-1,2'-(tetrahydrofuraShow More⌵

Mol. Formula:
C22H34O2

M.W.:
330.51

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3349147

Name:
1',4a',10'-trimethyl-(10'R)-spiro[tetrahydrofuran-2,7'-perhydroindeno[5,4-fShow More⌵

Mol. Formula:
C23H37NO2

M.W.:
359.55

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3349142

Name:
7-Acetyl-1,4a,6a,8-tetramethyl-hexadecahydro-indeno[5,4-f]quinolin-2-one

Mol. Formula:
C22H35NO2

M.W.:
345.53

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3349128

Name:
Potassium salt of 4a,6a-dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolinShow More⌵

Mol. Formula:
C19H28KNO3

M.W.:
357.54

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3349121

Name:
3-Hydroxy-1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-caShow More⌵

Mol. Formula:
C24H40N2O3

M.W.:
404.60

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
60.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3349120

Name:
15'-methylspiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecShow More⌵

Mol. Formula:
C21H30O2

M.W.:
314.47

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3349104

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

Mol. Formula:
C20H32N2O2

M.W.:
332.49

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3349100

Name:
2',15'-dimethylspiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]hepShow More⌵

Mol. Formula:
C22H32O2

M.W.:
328.50

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3349098

Name:
2-Hydroxyimino-1,4a,6a-trimethyl-hexadecahydro-indeno[5,4-f]quinoline-7-carShow More⌵

Mol. Formula:
C24H41N3O2

M.W.:
403.61

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
56.14

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3349093

Name:
1,4a,6a-Trimethyl-2,3-dioxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylShow More⌵

Mol. Formula:
C24H38N2O3

M.W.:
402.58

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
57.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3349072

Name:
7-Hydroxy-4a,6a-dimethyl-hexadecahydro-indeno[5,4-f]quinolin-2-one

Mol. Formula:
C18H29NO2

M.W.:
291.43

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA3349071

Name:
7-Acetyl-4a,6a-dimethyl-hexadecahydro-indeno[5,4-f]quinolin-2-one

Mol. Formula:
C20H31NO2

M.W.:
317.47

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2298601

Name:
(4aR,6aS,7S,11aR)-1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolShow More⌵

Mol. Formula:
C24H40N2O2

M.W.:
388.60

21 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA162674

Name:
(R)-3a,5b-Dimethyl-8-oxo-hexadecahydro-9-aza-cyclopenta[a]fluorene-3-carboxShow More⌵

Mol. Formula:
C31H38N2O2

M.W.:
470.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA155094

Name:
4-[2-(6-{[Bis-(4-methoxy-phenyl)-methyl]-carbamoyl}-benzofuran-2-yl)-phenoxShow More⌵

Mol. Formula:
C34H31NO7

M.W.:
565.62

Type:
Small molecule

AlogP:
6.88

Polar Surface Area:
107.23

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA155568

Name:
4-{2-[5-(Benzhydryl-carbamoyl)-benzofuran-2-yl]-phenoxy}-butyric acid

Mol. Formula:
C32H27NO5

M.W.:
505.57

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
88.77

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA152401

Name:
4-{2-[6-(Benzhydryl-carbamoyl)-benzofuran-2-yl]-phenoxy}-butyric acid

Mol. Formula:
C32H27NO5

M.W.:
505.57