Compounds

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
64.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4176100

Name:
(5-(4-Methylpyridin-3-yl)thiophene-2-yl)methanamin
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Mol. Formula:
C11H14Cl2N2S

M.W.:
277.22

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA4175869

Name:
(5-(4-Phenylpyridin-3-yl)thiophen-2-yl)methanamine
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Mol. Formula:
C16H16Cl2N2S

M.W.:
339.29

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4175429

Name:
3-(4-Ethylpyridin-3-yl)prop-2-yn-1-amine Dihydroch
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Mol. Formula:
C10H14Cl2N2

M.W.:
233.14

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
38.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA4174365

Name:
3-(4-Furan-3-yl-pyridin-3-yl)-prop-2-ynylamine Dih
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Mol. Formula:
C12H12Cl2N2O

M.W.:
271.15

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
52.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA4173203

Name:
3-(Quinolin-3-yl)prop-2-yn-1-amine Dihydrochloride

Mol. Formula:
C12H12Cl2N2

M.W.:
255.15

Type:
Small molecule

AlogP:
1.54

Polar Surface Area:
38.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA4173088

Name:
3-(4-Methylpyridin-3-yl)prop-2-yn-1-amine Dihydroc
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Mol. Formula:
C9H12Cl2N2

M.W.:
219.12

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
38.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.55

DETAILS

ALA4172676

Name:
3-(5-Methylpyridin-3-yl)prop-2-yn-1-amine Dihydroc
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Mol. Formula:
C9H12Cl2N2

M.W.:
219.12

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
38.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.55

DETAILS

ALA4172462

Name:
(5-(4-Methoxypyridin-3-yl)thiophen-2-yl)methanamin
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Mol. Formula:
C11H14Cl2N2OS

M.W.:
293.22

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
48.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4172017

Name:
(5-([4,4'-Bipyridin]-3'-yl)thiophen-2-yl)methanami
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Mol. Formula:
C15H16Cl3N3S

M.W.:
376.74

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
51.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4171984

Name:
3-(4-Propylpyridin-3-yl)prop-2-yn-1-amine Dihydroc
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Mol. Formula:
C11H16Cl2N2

M.W.:
247.17

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
38.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA4171558

Name:
3-(pyridin-3-yl)prop-2-yn-1-amine Dihydrochloride

Mol. Formula:
C8H10Cl2N2

M.W.:
205.09

Type:
Small molecule

AlogP:
0.39

Polar Surface Area:
38.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

ALA4169721

Name:
(5-(4-Propylpyridin-3-yl)furan-2-yl)methanamine Di
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Mol. Formula:
C13H18Cl2N2O

M.W.:
289.21

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
52.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4169324

Name:
(5-(4-(Furan-3-yl)pyridin-3-yl)furan-2-yl)methanam
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Mol. Formula:
C14H14Cl2N2O2

M.W.:
313.18

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
65.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4169290

Name:
3-(Pyrimidin-5-yl)prop-2-yn-1-amine trihydrochlori
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Mol. Formula:
C7H10Cl3N3

M.W.:
242.54

Type:
Small molecule

AlogP:
-0.21

Polar Surface Area:
51.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.50

DETAILS

ALA4168669

Name:
(5-(4-(Furan-2-yl)pyridin-3-yl)thiophen-2-yl)metha
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Mol. Formula:
C14H14Cl2N2OS

M.W.:
329.25

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
52.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4168256

Name:
(5-(4-(Pyrimidin-5-yl)pyridin-3-yl)furan-2-yl)meth
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Mol. Formula:
C14H16Cl4N4O

M.W.:
398.12