Compounds

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
48.38

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2260625

Name:
1-(1H-indol-2-yl)-2-phenylethanol

Mol. Formula:
C16H15NO

M.W.:
237.30

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
36.02

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2260624

Name:
N-((1H-benzo[d]imidazol-2-yl)methyl)ethanamine

Mol. Formula:
C10H13N3

M.W.:
175.24

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
40.71

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA2260623

Name:
1-(benzo[d]thiazol-2-yl)-2-phenylethanamine

Mol. Formula:
C15H14N2S

M.W.:
254.36

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2260622

Name:
1-(1H-benzo[d]imidazol-2-yl)-N-ethyl-2-phenylethanamine

Mol. Formula:
C17H19N3

M.W.:
265.36

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
40.71

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2260621

Name:
1-(benzo[d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)ethanol

Mol. Formula:
C17H17NO3S

M.W.:
315.39

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
51.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2260620

Name:
1-(benzo[d]thiazol-2-yl)-2-phenylethanol

Mol. Formula:
C15H13NOS

M.W.:
255.34

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
33.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2260619

Name:
2-(3,4-dimethoxyphenethyl)benzo[d]thiazole

Mol. Formula:
C17H17NO2S

M.W.:
299.40

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
31.35

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2260618

Name:
1-(benzo[d]oxazol-2-yl)-2-(3,4-dimethoxyphenyl)ethanol

Mol. Formula:
C17H17NO4

M.W.:
299.33

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
64.72

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2260617

Name:
1-(benzo[d]oxazol-2-yl)-2-phenylethanol

Mol. Formula:
C15H13NO2

M.W.:
239.27

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
46.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2260616

Name:
2-(3,4-dimethoxyphenethyl)benzo[d]oxazole

Mol. Formula:
C17H17NO3

M.W.:
283.33

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
44.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2260615

Name:
2-phenethylbenzo[d]oxazole

Mol. Formula:
C15H13NO

M.W.:
223.28

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
26.03

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2260614

Name:
1-(1H-benzo[d]imidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethanol

Mol. Formula:
C17H18N2O3

M.W.:
298.34

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
67.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2260613

Name:
1-(1H-benzo[d]imidazol-2-yl)-2-phenylethanol

Mol. Formula:
C15H14N2O

M.W.:
238.29

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA2260612

Name:
2-(3,4-dimethoxyphenethyl)-1H-benzo[d]imidazole

Mol. Formula:
C17H18N2O2

M.W.:
282.34

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
47.14

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2260611

Name:
1-(1H-indol-2-yl)-2-phenylethanamine

Mol. Formula:
C16H16N2

M.W.:
236.32