Compounds

Type:
Unknown

AlogP:
1.05

Polar Surface Area:
38.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.46

DETAILS

ALA4583840

Name:
3-(2,5-dichlorothiophen-3-yl)pyridine

Mol. Formula:
C9H5Cl2NS

M.W.:
230.12

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
12.89

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4575324

Name:
4-(2-chloro-6-fluorobenzyl)morpholine

Mol. Formula:
C11H13ClFNO

M.W.:
229.68

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA4564967

Name:
3-(2-chlorothiophen-3-yl)pyridine

Mol. Formula:
C9H6ClNS

M.W.:
195.67

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
12.89

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4543246

Name:
4-(2,4-dichlorobenzyl)morpholine

Mol. Formula:
C11H13Cl2NO

M.W.:
246.14

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA4526174

Name:
4-(2,3-dichlorobenzyl)morpholine

Mol. Formula:
C11H13Cl2NO

M.W.:
246.14

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA4483324

Name:
3-(5-chlorothiophen-2-yl)pyridine

Mol. Formula:
C9H6ClNS

M.W.:
195.67

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
12.89

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4471036

Name:
4-(2-methylbenzyl)morpholine

Mol. Formula:
C12H17NO

M.W.:
191.27

Type:
Unknown

AlogP:
1.83

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA4465634

Name:
4-(2-fluorobenzyl)morpholine

Mol. Formula:
C11H14FNO

M.W.:
195.24

Type:
Unknown

AlogP:
1.66

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA4463540

Name:
4-(2,3-dichlorobenzyl)-2,6-dimethylmorpholine

Mol. Formula:
C13H17Cl2NO

M.W.:
274.19

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

4-(2-Bromophenylmethyl)morpholine

Name:
4-(2-bromobenzyl)morpholine

Mol. Formula:
C11H14BrNO

M.W.:
256.14

Type:
Unknown

AlogP:
2.28

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA4440592

Name:
4-(2-Adamantanyl)morpholine

Mol. Formula:
C14H23NO

M.W.:
221.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA4437617

Name:
4-(2,6-dichlorobenzyl)morpholine

Mol. Formula:
C11H13Cl2NO

M.W.:
246.14