Compounds

Type:
---

AlogP:
4.17

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5197851

Name:
2,3-Dimethoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9Show More⌵

Mol. Formula:
C19H26ClNO2

M.W.:
335.88

Type:
---

AlogP:
3.57

Polar Surface Area:
44.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5197571

Name:
8,9-dimethoxy-1,2,3,4,5,6-hexahydro-1,5-epoxybenzo[d]azocine

Mol. Formula:
C13H17NO3

M.W.:
235.28

Type:
---

AlogP:
1.29

Polar Surface Area:
39.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5196910

Name:
2-Fluoro-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annuShow More⌵

Mol. Formula:
C17H21ClFN

M.W.:
293.81

Type:
---

AlogP:
3.69

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5196891

Name:
5,8,9,10-Tetrahydro-5,8:7,10-dimethanobenzo[8]annulen-7(6H)-amine hydrochloShow More⌵

Mol. Formula:
C15H18ClN

M.W.:
247.77

Type:
---

AlogP:
2.77

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA5196128

Name:
1-Fluoro-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annuShow More⌵

Mol. Formula:
C17H21ClFN

M.W.:
293.81

Type:
---

AlogP:
3.69

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5205691

Name:
9-Methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulene-2,7-Show More⌵

Mol. Formula:
C17H24Cl2N2

M.W.:
327.30

Type:
---

AlogP:
3.13

Polar Surface Area:
52.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5202553

Name:
1-(7-(dimethylamino)-9-methyl-6,7,8,9,10,11-hexahydro-5H-5,9:7,11-dimethanoShow More⌵

Mol. Formula:
C21H28ClNO

M.W.:
345.91

Type:
---

AlogP:
4.35

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5200184

Name:
2-Methoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annShow More⌵

Mol. Formula:
C18H24ClNO

M.W.:
305.85

Type:
---

AlogP:
3.56

Polar Surface Area:
35.25

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5199551

Name:
1-(7-Amino-9-methyl-6,7,8,9,10,11-hexahydro-5H-5,9:7,11-dimethanobenzo[9]anShow More⌵

Mol. Formula:
C19H24ClNO

M.W.:
317.86

Type:
---

AlogP:
3.75

Polar Surface Area:
43.09

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5206791

Name:
8,9-dimethoxy-3-methyl-1,2,3,4,5,6-hexahydro-1,5-epoxybenzo[d]azocine

Mol. Formula:
C14H19NO3

M.W.:
249.31

2 activity values

2 unique targets

Type:
---

AlogP:
1.63

Polar Surface Area:
30.93

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5191688

Name:
N-(3-((2-(4'-bromo-[1,1'-biphenyl]-4-yl)-2-hydroxyethyl)amino)phenyl)methanShow More⌵

Mol. Formula:
C21H21BrN2O3S

M.W.:
461.38

Type:
---

AlogP:
4.63

Polar Surface Area:
78.43

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5187377

Name:
N,N,9-trimethyl-2-nitro-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[Show More⌵

Mol. Formula:
C19H25ClN2O2

M.W.:
348.87

Type:
---

AlogP:
4.06

Polar Surface Area:
46.38

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5183187

Name:
3-(2-([1,1'-biphenyl]-4-yl)-2-aminoethoxy)phenol

Mol. Formula:
C20H19NO2

M.W.:
305.38

Type:
---

AlogP:
4.14

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5183090

Name:
1-([1,1'-Biphenyl]-4-yl)-2-phenoxyethanol

Mol. Formula:
C20H18O2

M.W.:
290.36

Type:
---

AlogP:
4.47

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5182509

Name:
1-([1,1'-biphenyl]-4-yl)-2-((3-(ethylamino)phenyl)amino)ethanol

Mol. Formula:
C22H24N2O

M.W.:
332.45

Type:
---

AlogP:
4.93

Polar Surface Area:
44.29

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5182084

Name:
3-(2-([1,1'-Biphenyl]-4-yl)-2-hydroxyethoxy)phenol

Mol. Formula:
C20H18O3

M.W.:
306.36

Type:
---

AlogP:
4.17

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5180506

Name:
5,6,8,9,10,11-Hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-9-d-7-amine

Mol. Formula:
C16H19N

M.W.:
226.34

4 activity values

2 unique targets

Type:
---

AlogP:
3.16

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5180008

Name:
3-((2-([1,1'-biphenyl]-4-yl)-2-hydroxyethyl)amino)phenol

Mol. Formula:
C20H19NO2

M.W.:
305.38