Compounds

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
75.35

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4539458

Name:
3-Hydroxy-1-methyl-5-((4-(trifluoromethyl)phenoxy)
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Mol. Formula:
C13H11F3N2O4

M.W.:
316.24

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
84.58

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4569109

Name:
3-(Cyclopropylmethoxy)-1-methyl-5-(phenoxymethyl)-
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Mol. Formula:
C16H18N2O4

M.W.:
302.33

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4568957

Name:
3-(Benzyloxy)-1-methyl-5-(phenoxymethyl)-1H-pyrazo
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Mol. Formula:
C19H18N2O4

M.W.:
338.36

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4514989

Name:
3-Hydroxy-1-methyl-5-((phenylamino)methyl)-1H-pyra
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Mol. Formula:
C12H13N3O3

M.W.:
247.25

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
87.38

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5277802

Name:
N-(1-(3-(2-methoxyphenoxy)benzyl)piperidin-4-yl)-2
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Mol. Formula:
C33H41N3O3

M.W.:
527.71

Type:
---

AlogP:
5.84

Polar Surface Area:
54.04

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4544292

Name:
3-Ethoxy-1-methyl-5-(phenoxymethyl)-1H-pyrazole-4-
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Mol. Formula:
C14H16N2O4

M.W.:
276.29

Type:
Unknown

AlogP:
2.10

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5273480

Name:
N-(1-(3-(2-methoxyphenoxy)benzyl)piperidin-4-yl)-2
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Mol. Formula:
C29H31N3O4

M.W.:
485.58

Type:
---

AlogP:
4.69

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5272687

Name:
N-ethyl-2-(4-hydroxy-1-(3-(2-methoxyphenoxy)benzyl
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Mol. Formula:
C28H34N2O6S

M.W.:
526.66

Type:
---

AlogP:
4.28

Polar Surface Area:
97.33

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5270110

Name:
2-(4-hydroxy-1-(3-(2-methoxyphenoxy)benzyl)piperid
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Mol. Formula:
C26H27NO5

M.W.:
433.50

Type:
---

AlogP:
4.67

Polar Surface Area:
79.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5268017

Name:
8-(3-(2-methoxyphenoxy)benzyl)-1-phenethyl-1,3,8-t
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Mol. Formula:
C29H33N3O3

M.W.:
471.60

Type:
---

AlogP:
4.45

Polar Surface Area:
54.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4458056

Name:
3-Hydroxy-1-methyl-5-((3-(trifluoromethyl)phenoxy)
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Mol. Formula:
C13H11F3N2O4

M.W.:
316.24

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
84.58

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4457827

Name:
3-Hydroxy-1-methyl-5-(phenoxymethyl)-1H-pyrazole-4
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Mol. Formula:
C12H12N2O4

M.W.:
248.24

Type:
Unknown

AlogP:
1.40

Polar Surface Area:
84.58

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4451149

Name:
3-Hydroxy-1-methyl-5-((methyl(phenyl)amino)methyl)
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Mol. Formula:
C13H15N3O3

M.W.:
261.28

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
78.59

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4449622

Name:
3-Hydroxy-1-methyl-5-(phenoxymethyl)-1H-pyrazole-4
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Mol. Formula:
C12H13N3O3

M.W.:
247.25

Type:
Unknown

AlogP:
0.80

Polar Surface Area:
90.37

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4440085

Name:
Ethyl 3-hydroxy-1-methyl-5-(phenoxymethyl)-1H-pyra
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Mol. Formula:
C14H16N2O4

M.W.:
276.29

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
73.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4170677

Name:
Benzyl 2-(2-((S)-6-amino-3-((S)-2-amino-4-methylpe
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Mol. Formula:
C22H37N5O4

M.W.:
435.57

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
139.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4168277

Name:
Geneticin

Mol. Formula:
C20H40N4O10

M.W.:
496.56

Type:
Small molecule

AlogP:
-5.61

Polar Surface Area:
248.39

HBA:
14

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4167292

Name:
3-Chlorobenzyl 2-(2-((S)-6-amino-3-((S)-2-amino-4-
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Mol. Formula:
C22H36ClN5O4

M.W.:
470.01

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
139.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4163840

Name:
3-Methoxybenzyl 2-(2-((S)-6-amino-3-((S)-2-amino-4
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Mol. Formula:
C23H39N5O5

M.W.:
465.60