Compounds

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4869639

Name:
2-(2-(3-methoxyphenylamino)-2-oxoethoxy)phenylphos
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Mol. Formula:
C15H16NO6P

M.W.:
337.27

Type:
Unknown

AlogP:
1.52

Polar Surface Area:
105.09

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4869512

Name:
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin
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Mol. Formula:
C16H23N5O3S

M.W.:
365.46

Type:
Unknown

AlogP:
0.28

Polar Surface Area:
102.04

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4869166

Name:
1-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidi
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Mol. Formula:
C16H18F3N5O2

M.W.:
369.35

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
84.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4868948

Name:
3-(3-(methoxycarbonyl)-4,5-dimethylthiophen-2-ylca
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Mol. Formula:
C18H21NO5S

M.W.:
363.44

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
92.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4868884

Name:
2-(3,4-dimethyl-2-p-tolyl-2H-pyrazolo[4,3-d]pyrida
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Mol. Formula:
C16H16N4O2S

M.W.:
328.40

2 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
80.90

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4867442

Name:
N-(2-isopropyl-1-methyl-1H-benzo[d]imidazol-5-yl)-
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Mol. Formula:
C15H19N7O

M.W.:
313.37

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
90.52

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4858487

Name:
4-((2R,6S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]d
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Mol. Formula:
C13H15NO4

M.W.:
249.27

Type:
Unknown

AlogP:
0.66

Polar Surface Area:
74.68

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4857014

Name:
N-(2-chloro-5-(trifluoromethyl)phenyl)quinoline-8-
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Mol. Formula:
C16H10ClF3N2O2S

M.W.:
386.78

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4856427

Name:
3-((diallylamino)methyl)-2-methylquinolin-4-ol

Mol. Formula:
C17H20N2O

M.W.:
268.36

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4789825

Name:
(3-Hydroxy-5-(3-(naphthalen-1-yloxy)prop-1-yn-1-yl
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Mol. Formula:
C21H16N2O5

M.W.:
376.37

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
108.75

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4789540

Name:
4-Hydroxy-N-(2-phenylpropan-2-yl)-2-(pyridazin-3-y
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Mol. Formula:
C18H17N5O2

M.W.:
335.37

Type:
Unknown

AlogP:
2.30

Polar Surface Area:
100.89

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4860304

Name:
2,2,2-trifluoro-N-(2-(4-oxo-4H-benzo[d][1,3]oxazin
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Mol. Formula:
C16H9F3N2O3

M.W.:
334.25

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
72.20

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4849879

Name:
4-bromo-N-(4-chloro-2-(trifluoromethyl)phenyl)-1,5
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Mol. Formula:
C13H10BrClF3N3O

M.W.:
396.59

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4848385

Name:
N-(5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-
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Mol. Formula:
C12H10ClFN8O

M.W.:
336.72

2 unique targets

Type:
Unknown

AlogP:
1.28

Polar Surface Area:
114.27

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4782037

Name:
N-Benzhydryl-4-hydroxy-2-(pyridazin-3-yl)pyrimidin
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Mol. Formula:
C22H17N5O2

M.W.:
383.41

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
100.89

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4781541

Name:
(S)-4-Hydroxy-N-(1-(4-methoxyphenyl)ethyl)-2-(1H-p
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Mol. Formula:
C17H17N5O3

M.W.:
339.36

3 unique targets

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
102.16

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4862642

Name:
2-(5-methyl-1H-1,2,4-triazol-3-ylthio)nicotinic ac
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Mol. Formula:
C9H8N4O2S

M.W.:
236.26

2 unique targets

Type:
Unknown

AlogP:
1.36

Polar Surface Area:
91.76

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4757255

Name:
(3-Hydroxy-5-(3-(methyl(phenyl)amino)prop-1-yn-1-y
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Mol. Formula:
C18H17N3O4

M.W.:
339.35

Type:
Unknown

AlogP:
1.09

Polar Surface Area:
102.76

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4756775

Name:
(3-Hydroxy-5-(3-(phenylamino)prop-1-yn-1-yl)-picol
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Mol. Formula:
C17H15N3O4

M.W.:
325.32