Compounds

ALA2372107

Name:
Fertilin-beta peptide analogue

Mol. Formula:
C58H87N15O25S

M.W.:
1426.48

3 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA410413

Name:
Fertilin-beta peptide analogue

Mol. Formula:
C82H135N15O25S

M.W.:
1763.13

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA285376

Name:
1-palmitoyl-2-oleoylphosphatidyl choline

Cas Number:
26662-91-9

Mol. Formula:
C42H82NO8P

M.W.:
760.09

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
11.17

Polar Surface Area:
111.19

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
39

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA437913

Name:
Fertilin-beta peptide analogue

Mol. Formula:
C82H135N15O25S

M.W.:
1763.13

24 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA18797

Name:
[6-Fluoro-2-methyl-3-(4-methylsulfanyl-benzylidene
Show More⌵

Cas Number:
49627-27-2

Mol. Formula:
C20H17FO2S

M.W.:
340.42

380 activity values

138 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA13531

Name:
6-Chloro-3,3-dimethyl-3,4-dihydro-isoquinoline 2-o
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Mol. Formula:
C11H12ClNO

M.W.:
209.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.48

DETAILS

ALA265346

Name:
7-Chloro-3,3-dimethyl-3,4-dihydro-isoquinoline 2-o
Show More⌵

Mol. Formula:
C11H12ClNO

M.W.:
209.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.48

DETAILS

ALA13172

Name:
6-Fluoro-3,3-dimethyl-3,4-dihydro-isoquinoline 2-o
Show More⌵

Mol. Formula:
C11H12FNO

M.W.:
193.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.46

DETAILS

ALA13761

Name:
8-Chloro-3,3-dimethyl-3,4-dihydro-isoquinoline 2-o
Show More⌵

Mol. Formula:
C11H12ClNO

M.W.:
209.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.48

DETAILS

ALA13201

Name:
5-Chloro-3,3-dimethyl-3,4-dihydro-isoquinoline 2-o
Show More⌵

Mol. Formula:
C11H12ClNO

M.W.:
209.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.48

DETAILS

ALA12917

Name:
6,8-Dichloro-3,3-dimethyl-3,4-dihydro-isoquinoline
Show More⌵

Mol. Formula:
C11H11Cl2NO

M.W.:
244.12

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA274908

Name:
7'-chloro-4'H-spiro[cyclohexane-1,3'-isoquinoline]
Show More⌵

Mol. Formula:
C14H16ClNO

M.W.:
249.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA13204

Name:
6'-methoxy-4'H-spiro[cyclohexane-1,3'-isoquinoline
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Mol. Formula:
C15H19NO2

M.W.:
245.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
35.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.56

DETAILS

ALA13368

Name:
8'-methoxy-4'H-spiro[cyclohexane-1,3'-isoquinoline
Show More⌵

Mol. Formula:
C15H19NO2

M.W.:
245.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
35.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.56

DETAILS

ALA13112

Name:
6,7-Dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinolin
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Mol. Formula:
C13H17NO3

M.W.:
235.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
44.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA430100

Name:
8-Fluoro-5-methoxy-3,3-dimethyl-3,4-dihydro-isoqui
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Mol. Formula:
C12H14FNO2

M.W.:
223.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
35.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.54

DETAILS

ALA274597

Name:
6-Methoxy-3,3-dimethyl-3,4-dihydro-isoquinoline 2-
Show More⌵

Mol. Formula:
C12H15NO2

M.W.:
205.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
35.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

ALA13069

Name:
8-Methoxy-3,3-dimethyl-3,4-dihydro-isoquinoline 2-
Show More⌵

Mol. Formula:
C12H15NO2

M.W.:
205.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
35.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

ALA273282

Name:
7-Fluoro-3,3-dimethyl-3,4-dihydro-isoquinoline 2-o
Show More⌵

Mol. Formula:
C11H12FNO

M.W.:
193.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.46

DETAILS

ALA12940

Name:
7-Methoxy-3,3-dimethyl-3,4-dihydro-isoquinoline 2-
Show More⌵

Mol. Formula:
C12H15NO2

M.W.:
205.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
35.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS