Compounds

ALA4476465

Name:
ethyl 5-oxo-4,4-dipropyltetrahydrofuran-3-ylcarbam
Show More⌵

Mol. Formula:
C13H23NO4

M.W.:
257.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4554875

Name:
18-hydroxysugiol

Mol. Formula:
C20H28O3

M.W.:
316.44

24 activity values

13 unique targets

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4549575

Name:
(1R,4aS,10aR)-methyl 6-hydroxy-7-isopropyl-1,4a-di
Show More⌵

Mol. Formula:
C21H28O4

M.W.:
344.45

15 activity values

12 unique targets

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4744964

Name:
(+/-)-1,8-dimethyl-8a-phenyl-1,2,3,3a,8,8a-hexahyd
Show More⌵

Mol. Formula:
C18H20N2O

M.W.:
280.37

13 activity values

3 unique targets

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA4760546

Name:
(2R,3R)-5,7-dihydroxy-2,3-dimethyl-6-(3-methylbut-
Show More⌵

Mol. Formula:
C16H20O4

M.W.:
276.33

22 activity values

6 unique targets

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4758116

Name:
(+)-1,8-dimethyl-8a-phenyl-5-(trifluoromethyl)-1,2
Show More⌵

Mol. Formula:
C19H19F3N2O

M.W.:
348.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4758038

Name:
(+)-3a-fluoro-1,8-dimethyl-8a-phenyl-1,2,3,3a,8,8a
Show More⌵

Mol. Formula:
C18H19FN2

M.W.:
282.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4779754

Name:
(+)-8a-(4-bromophenyl)-1,8-dimethyl-1,2,3,3a,8,8a-
Show More⌵

Mol. Formula:
C18H19BrN2O

M.W.:
359.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4785192

Name:
(+)-benzyl 3a-hydroxy-8-methyl-8a-phenyl-3,3a,8,8a
Show More⌵

Mol. Formula:
C25H24N2O3

M.W.:
400.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4752827

Name:
(+)-1,8-dimethyl-5-morpholino-8a-phenyl-1,2,3,3a,8
Show More⌵

Mol. Formula:
C22H27N3O2

M.W.:
365.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
39.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4789438

Name:
(+)-5-methoxy-1,8-dimethyl-8a-phenyl-1,2,3,3a,8,8a
Show More⌵

Mol. Formula:
C19H22N2O2

M.W.:
310.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
35.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4789080

Name:
(+)-3a-methoxy-1,8-dimethyl-8a-phenyl-1,2,3,3a,8,8
Show More⌵

Mol. Formula:
C19H22N2O

M.W.:
294.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5281882

Name:
O-ally allopregnananolone

Mol. Formula:
C24H37NO3

M.W.:
387.56

Type:
---

AlogP:
5.04

Polar Surface Area:
66.49

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4462831

Name:
allyl 5-oxo-4,4-dipropyltetrahydrofuran-3-ylcarbam
Show More⌵

Mol. Formula:
C14H23NO4

M.W.:
269.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.41

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4464551

Name:
3-(benzo[d][1,3]dioxol-5-yl)-2-ethyl-4-oxo-6-propy
Show More⌵

Cas Number:
159647-56-0

Mol. Formula:
C24H24O6

M.W.:
408.45

2 activity values

1 unique targets

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
74.97

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3971720

Name:
US9388210, 17b

Mol. Formula:
C22H33NO2

M.W.:
343.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
53.25

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4749051

Name:
(+)-8-methyl-8a-phenyl-1,2,3,3a,8,8a-hexahydropyrr
Show More⌵

Mol. Formula:
C17H18N2O

M.W.:
266.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
35.50

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA4755418

Name:
(-)-8a-(4-bromophenyl)-1,8-dimethyl-1,2,3,3a,8,8a-
Show More⌵

Mol. Formula:
C18H19BrN2O

M.W.:
359.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5207698

Name:
(5S,8R,9R,10S)-2S-Acetoxy-6S-methoxyclerod-3,12,14
Show More⌵

Mol. Formula:
C23H32O5

M.W.:
388.50

1 activity values

1 unique targets

Type:
---

AlogP:
3.83

Polar Surface Area:
69.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5205013

Name:
8-ethynyl-1-methyl-6-phenyl-4H-benzo[f][1,2,4]tria
Show More⌵

Mol. Formula:
C19H14N4

M.W.:
298.35

5 activity values

5 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
43.07

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS