Compounds

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3249179

Name:
all-cis-2,3,4,4a,9,9a-Hexahydro-9-phenyl-1H-indeno-[2,1-c]pyridine HydrobroShow More⌵

Mol. Formula:
C18H20BrN

M.W.:
330.27

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3249178

Name:
2-Benzyl-2,3-dihydro-9-phenyl-1H-indeno[2,1-c]pyridire Hydrobromide

Mol. Formula:
C25H22BrN

M.W.:
416.36

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3249177

Name:
H9,H9a-trans-2,3,4,4a,9,9a-Hexahydro-2-(2-diethylaminoethyl)-9-phenyl-1H-inShow More⌵

Mol. Formula:
C24H35BrN2O

M.W.:
447.46

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3249176

Name:
H9,H9a-trans-2,3,4,4a,9,9a-Hexahydro-2-(2-dimethylaminoethyl)-9-phenyl-1H-iShow More⌵

Mol. Formula:
C22H29BrN2

M.W.:
401.39

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3249175

Name:
H9,H9a-trans-2,3,4,4a,9,9a-Hexahydro-2-[3-(1-piperidinopropyl)]-9-phenyl-1HShow More⌵

Mol. Formula:
C26H37ClN2O

M.W.:
429.05

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3249174

Name:
H9,H9a-trans-2,3,4,4a,9,9a-Hexahydro-2-(3-diethylaminopropyl)-9-phenyl-1H-iShow More⌵

Mol. Formula:
C25H37BrN2O

M.W.:
461.49

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3249173

Name:
H9,H9a-trans-2,3,4,4a,9,9a-Hexahydro-2-(3-dimethylaminopropyl)-9-phenyl-1H-Show More⌵

Mol. Formula:
C23H33ClN2O

M.W.:
388.98

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3249172

Name:
all-cis-2,3,4,4a,9,9a-Hexahydro-2-(2-diethylaminoethyl)-9-phenyl-1H-indeno[Show More⌵

Mol. Formula:
C24H35BrN2O

M.W.:
447.46

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3249170

Name:
all-cis-2,3,4,4a,9,9a-Hexahydro-2-(3-diethylaminopropyl)-9-phenyl-1H-indenoShow More⌵

Mol. Formula:
C25H37ClN2O

M.W.:
417.04

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3249169

Name:
all-cis-2,3,4,4a,9,9a-Hexahydro-2-(3-dimethylaminopropyl)-9-phenyl-1H-indenShow More⌵

Mol. Formula:
C23H33ClN2O

M.W.:
388.98

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3249168

Name:
2,3-Dihydro-2-[3-(1-piperidinopropyl)]-9-phenyl-1H-indeno[2,1-c]pyridine diShow More⌵

Mol. Formula:
C26H33BrN2O

M.W.:
469.47

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3249167

Name:
2,3-Dihydro-2-(3-diethylaminopropyl)-9-phenyl-1H-indeno[2,1-c]pyridine dihyShow More⌵

Mol. Formula:
C25H33BrN2O

M.W.:
457.46

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3249166

Name:
2,3-Dihydro-2-(3-dimethylaminopropyl)-9-phenyl-1H-indeno[2,1-c]pyridine dihShow More⌵

Mol. Formula:
C23H29BrN2O

M.W.:
429.40

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3249165

Name:
1-(2-Dimethylaminoethyl)-3-benzoyl-4-hydroxy-4-phenylpiperidine

Mol. Formula:
C22H28N2O2

M.W.:
352.48

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
43.78

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3249164

Name:
1-[3-(1-Piperidinopropyl)]-3-benzoyl-4-hydroxy-4-phenylpiperidine

Mol. Formula:
C26H34N2O2

M.W.:
406.57

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
43.78

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3249162

Name:
1-(3-Dimethylaminopropyl)-3-benzoyl-4-hydroxy-4-phenylpiperidine

Mol. Formula:
C23H30N2O2

M.W.:
366.51

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
43.78

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3245768

Name:
[3-[3-(1-Naphthoxy)-2-hydroxy-1-propylammonio]-1-propyl]trimethylammonium DShow More⌵

Mol. Formula:
C19H30Cl2N2O2

M.W.:
389.37

4 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3245767

Name:
4-[(3-(1-Naphthoxy)-2-hydroxypropyl]amino]butyric Acid Hydrochloride

Mol. Formula:
C17H22ClNO4

M.W.:
339.82

4 unique targets

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
78.79

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3245766

Name:
4-[[3-(1-Naphthoxy)-2-hydroxypropyl]amino]butyramide Hydrochloride

Mol. Formula:
C17H23ClN2O3

M.W.:
338.84