Compounds

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

1-Acetylindoline

Name:
1-acetylindoline

Mol. Formula:
C10H11NO

M.W.:
161.20

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA3274977

Name:
1'-methylspiro[indoline-3,3'-pyrrolidine]

Mol. Formula:
C12H16N2

M.W.:
188.27

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA3274976

Name:
1-Acetyl-1,2-dihydrospiro[3H-indole-3,3'-pyrrolidine]oxalate

Mol. Formula:
C15H18N2O5

M.W.:
306.32

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA3274975

Name:
1-Acetyl-1,2-dihydro-1'-(2-propenyl)spiro[3H-indole-3,3'-pyrrolidine]oxalatShow More⌵

Mol. Formula:
C18H22N2O5

M.W.:
346.38

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA3274624

Name:
1-Acetyl-1,2-dihydro-1'-phenylmethylspiro[3H-indole-3,3'-pyrrolidine]oxalatShow More⌵

Mol. Formula:
C22H24N2O5

M.W.:
396.44

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3274623

Name:
1-Acetyl-1,2-dihydro-1'-methylspiro[3H-indole-3,3'-pyrrolidine]

Mol. Formula:
C14H18N2O

M.W.:
230.31

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.68

DETAILS

ALA3274622

Name:
1-(spiro[cyclopentane-1,3'-indoline]-1'-yl)ethanone

Mol. Formula:
C14H17NO

M.W.:
215.30

27 activity values

18 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA3084718

Name:
3alpha-(2'-Thiophenecarbonyloxy)-nortropane

Mol. Formula:
C12H15NO2S

M.W.:
237.32

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
38.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3084717

Name:
3alpha-(2'-Thiophenecarbonyloxy)-tropane

Mol. Formula:
C13H17NO2S

M.W.:
251.35

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
29.54

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3084716

Name:
3alpha-(2'-Pyrrolecarbonyloxy)-nortropane

Mol. Formula:
C12H16N2O2

M.W.:
220.27

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
54.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA3084715

Name:
3alpha-(2'-Pyrrolecarbonyloxy)-tropane

Mol. Formula:
C13H18N2O2

M.W.:
234.30

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
45.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA3084714

Name:
3alpha-(3'-Quinolinecarbonyloxy)-nortropane

Mol. Formula:
C17H18N2O2

M.W.:
282.34

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3084713

Name:
3alpha-(3'-Quinolinecarbonyloxy)-tropane

Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3084712

Name:
3alpha-(1'-Methyl-2'-Indolecarbonyloxy)-nortropane

Mol. Formula:
C17H20N2O2

M.W.:
284.36

9 activity values

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
43.26

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3084711

Name:
3alpha-(3'-Pyridinecarbonyloxy)-nortropane

Mol. Formula:
C13H16N2O2

M.W.:
232.28

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3084710

Name:
3alpha-(3'-Pyridinecarbonyloxy)-tropane

Mol. Formula:
C14H18N2O2

M.W.:
246.31

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3084709

Name:
3alpha-(1'-Methyl-2'-Pyrrolecarbonyloxy)-tropane

Mol. Formula:
C14H20N2O2

M.W.:
248.33

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3084708

Name:
3alpha-(1'-Methyl-2'-Indolecarbonyloxy)-tropane

Mol. Formula:
C18H22N2O2

M.W.:
298.39

5 activity values

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3084707

Name:
3alpha-(2'-Furanecarbonyloxy)-nortropane

Mol. Formula:
C12H15NO3

M.W.:
221.26