Compounds

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
76.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2335088

Name:
(E)Ethyl 2-cyano-2(3-methyl-1-phenylindeno[2,1-e]p
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Mol. Formula:
C24H17N5O2

M.W.:
407.43

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
93.69

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2335087

Name:
3-Methyl-1-phenylindeno[2,1-e]pyrazolo[3,4-b]pyraz
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Mol. Formula:
C19H12N4O

M.W.:
312.33

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
60.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2335085

Name:
3-Methyl-1-phenyl-1,5-dihydroindeno[2,1-e]pyrazolo
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Mol. Formula:
C19H14N4

M.W.:
298.35

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2335081

Name:
(E)5-Hydrazono-3-methyl-1-phenyl-1,5-dihydroindeno
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Mol. Formula:
C19H14N6

M.W.:
326.36

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
81.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2160186

Name:
2,2'-(3-oxo-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]i
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Mol. Formula:
C28H27N3O5

M.W.:
485.54

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
96.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2160185

Name:
8-Chloro-9-ethylcarbamate-1,2,3,5,6,10bhexahydropy
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Mol. Formula:
C15H17ClN2O3

M.W.:
308.77

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2160184

Name:
8-Chloro-9-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[
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Mol. Formula:
C12H12ClNO2

M.W.:
237.69

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA2160183

Name:
8-(2-oxo-2-(piperidin-1-yl)ethoxy)-1,2,5,6-tetrahy
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Mol. Formula:
C19H24N2O3

M.W.:
328.41

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2160182

Name:
8,9-bis(4-fluorobenzyloxy)-1,2,5,6-tetrahydropyrro
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Mol. Formula:
C26H23F2NO3

M.W.:
435.47

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2160181

Name:
(+/-)-Trolline

Cas Number:
1021950-79-7

Mol. Formula:
C12H13NO3

M.W.:
219.24

Type:
Small molecule

AlogP:
1.32

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2160180

Name:
2-(3-oxo-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoq
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Mol. Formula:
C20H20N2O3

M.W.:
336.39

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2160179

Name:
8-(4-fluorobenzyloxy)-1,2,5,6-tetrahydropyrrolo[2,
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Mol. Formula:
C19H18FNO2

M.W.:
311.36

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2160178

Name:
8-Ethylcarbamate-1,2,3,5,6,10b-hexahydropyrrolo[2,
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Mol. Formula:
C15H18N2O3

M.W.:
274.32

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA2160177

Name:
8-Chloro-9-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[
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Mol. Formula:
C13H14ClNO2

M.W.:
251.71

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA2160176

Name:
8-Hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]iso
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Cas Number:
1414380-13-4

Mol. Formula:
C12H13NO2

M.W.:
203.24

Type:
Small molecule

AlogP:
1.61

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA2160175

Name:
8-Benzyloxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]i
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Mol. Formula:
C19H19NO2

M.W.:
293.37