Compounds

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
80.82

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4475133

Name:
endo-N-Methyl-3-(pyridin-3-yl)bicyclo[2.2.1]heptan
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Mol. Formula:
C13H18N2

M.W.:
202.30

10 activity values

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
24.92

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA4537452

Name:
6-(2-Fluoro-4-methoxyphenyl)-N,N-bis(pyridin-2-ylm
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Mol. Formula:
C23H20FN5O

M.W.:
401.45

17 activity values

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
64.03

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4558567

Name:
6-(2-Methoxyphenyl)-2-(methylsulfinyl)-N,N-bis(pyr
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Mol. Formula:
C24H23N5O2S

M.W.:
445.55

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
87.09

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4566641

Name:
6-(4-Fluoro-2-methoxyphenyl)-N4,N4-bis(pyridin-2-y
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Mol. Formula:
C23H21FN6O

M.W.:
416.46

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
90.05

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4515416

Name:
endo-N,N-Dimethyl-3-(6-chloropyridin-3-yl)bicyclo[
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Mol. Formula:
C14H19ClN2

M.W.:
250.77

11 activity values

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
16.13

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4550170

Name:
6-(2-Isobutoxyphenyl)-N4,N4-bis(pyridin-2-ylmethyl
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Mol. Formula:
C26H28N6O

M.W.:
440.55

Type:
Unknown

AlogP:
4.76

Polar Surface Area:
90.05

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4571915

Name:
6-Morpholino-N,N-bis(pyridin-2-ylmethyl)pyrimidin-
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Mol. Formula:
C20H22N6O

M.W.:
362.44

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
67.27

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4578541

Name:
6-(2-Isopropoxyphenyl)-N4,N4-bis(pyridin-2-ylmethy
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Mol. Formula:
C25H26N6O

M.W.:
426.52

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
90.05

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4590635

Name:
6-(2-Fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyri
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Mol. Formula:
C22H18FN5

M.W.:
371.42

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
54.80

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4583746

Name:
6-(2-Methoxyphenyl)-N,N-bis(pyridin2-ylmethyl)-2-(
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Mol. Formula:
C24H20F3N5O

M.W.:
451.45

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
64.03

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4583288

Name:
6-(2-Methoxypyridin-3-yl)-N4,N4-bis(pyridin-2-ylme
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Mol. Formula:
C22H21N7O

M.W.:
399.46

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
102.94

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4793576

Name:
Hosieine C

Mol. Formula:
C14H18N2O

M.W.:
230.31

2 activity values

Type:
Unknown

AlogP:
1.19

Polar Surface Area:
34.03

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA4791046

Name:
Hosieine B

Mol. Formula:
C15H20N2O2

M.W.:
260.34

2 activity values

Type:
Unknown

AlogP:
0.50

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4798114

Name:
Hosieine D

Mol. Formula:
C15H20N2O2

M.W.:
260.34

2 activity values

Type:
Unknown

AlogP:
0.65

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4467979

Name:
N,N-Bis(pyridin-2-ylmethyl)-6-(thiophen-3-yl)pyrim
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Mol. Formula:
C20H17N5S

M.W.:
359.46

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
54.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4472617

Name:
4-(1-(quinuclidin-3-yl)-1H-1,2,3-triazol-4-yl)phen
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Mol. Formula:
C15H18N4O

M.W.:
270.34

7 activity values

4 unique targets

Type:
Unknown

AlogP:
1.92

Polar Surface Area:
54.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4550498

Name:
endo-3-(Pyridin-3-yl)bicyclo[2.2.1]heptan-2-amine

Mol. Formula:
C12H16N2

M.W.:
188.27

12 activity values

Type:
Unknown

AlogP:
1.92

Polar Surface Area:
38.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA4519242

Name:
6-(2,6-Dimethoxyphenyl)-N4,N4-bis(pyridin-2-ylmeth
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Mol. Formula:
C24H24N6O2

M.W.:
428.50

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
99.28

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4648968

Name:
(1R,3S,5R)-3-(6-chloro-pyridin-3-yloxymethyl)-2-me
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Mol. Formula:
C12H16Cl2N2O

M.W.:
275.18

1 activity values