Compounds

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4791163

Name:
3-((3,5-dimethyl-4-(oxirane-2-carboxamido)-1H-pyrr
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Mol. Formula:
C27H26N4O4

M.W.:
470.53

5 activity values

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
115.62

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4782275

Name:
(R)-3-((4-acrylamido-3,5-dimethyl-1H-pyrrol-2-yl)m
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Mol. Formula:
C27H26N4O3

M.W.:
454.53

5 activity values

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4782014

Name:
(R)-3-((3,5-dimethyl-4-(prop-2-ynylcarbamoyl)-1H-p
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Mol. Formula:
C28H26N4O3

M.W.:
466.54

7 activity values

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4781735

Name:
(R)-3-((4-(allylcarbamoyl)-3,5-dimethyl-1H-pyrrol-
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Mol. Formula:
C28H28N4O3

M.W.:
468.56

5 activity values

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3730250

Name:
(3-Fluorophenylamino)-acetic acid [1-(3,5-dichloro
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Mol. Formula:
C14H11Cl2FN4O

M.W.:
341.17

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
66.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3732736

Name:
(3-Chlorophenylamino)-acetic acid [1-(3,5-dichloro
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Mol. Formula:
C14H11Cl3N4O

M.W.:
357.63

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
66.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3729798

Name:
6-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-y
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Mol. Formula:
C24H17N5

M.W.:
375.44

8 activity values

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
48.01

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3731761

Name:
1-[3-[6-(2-thienyl)imidazo[1,2-a]pyrazin-3-yl]phen
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Mol. Formula:
C18H13N3OS

M.W.:
319.39

8 activity values

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
47.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3731009

Name:
N,N-dimethyl-4-[3-(3-pyridyl)-[1,2,4]triazolo[4,3-
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Mol. Formula:
C19H17N5

M.W.:
315.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
46.32

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3729597

Name:
(3-Phenoxyphenylamino)-acetic acid [1-pyridin-4-yl
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Mol. Formula:
C21H20N4O2

M.W.:
360.42

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
75.61

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3731262

Name:
(3-Benzyloxyphenylamino)-acetic acid [1-pyridin-4-
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Mol. Formula:
C22H22N4O2

M.W.:
374.44

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
75.61

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3731114

Name:
3-{[1-Pyridin-4-yl-meth-(E)-ylidene-hydrazinocarbo
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Mol. Formula:
C14H15N5O3S

M.W.:
333.37

Type:
Small molecule

AlogP:
0.29

Polar Surface Area:
126.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3729682

Name:
N-Methyl-3-{[1-pyridin-4-yl-meth-(E)-ylidene-hydra
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Mol. Formula:
C16H17N5O2

M.W.:
311.35

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
95.48

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3733136

Name:
(3-Methylsulfanylphenylamino)-acetic acid [1-pyrid
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Mol. Formula:
C15H16N4OS

M.W.:
300.39

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
66.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3728684

Name:
(3-Fluorophenylamino)-acetic acid [1-pyridin-4-yl-
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Mol. Formula:
C14H13FN4O

M.W.:
272.28

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
66.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3728445

Name:
(3-Chlorophenylamino)-acetic acid [1-pyridin-4-yl-
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Mol. Formula:
C14H13ClN4O

M.W.:
288.74

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
66.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3730586

Name:
3-{[1-(3,5-Dichloropyridin-4-yl)-meth-(E)-ylidene-
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Mol. Formula:
C14H13Cl2N5O3S

M.W.:
402.26

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
126.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3729412

Name:
(3-Ethoxyphenylamino)-acetic acid [1-(3,5-dichloro
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Mol. Formula:
C16H16Cl2N4O2

M.W.:
367.24

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
75.61

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3729970

Name:
(3-Methylsulfanyl-phenylamino)-acetic acid [1-(3,5
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Mol. Formula:
C15H14Cl2N4OS

M.W.:
369.28