Compounds

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4574947

Name:
5-(3,5-Di-tert-butylphenyl)pyridine-2-carboxylic acid

Mol. Formula:
C20H25NO2

M.W.:
311.43

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
50.19

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4572963

Name:
4-(4-((2,3-dihydro-1H-inden-5-yloxy)methyl)phenyl)butanoic acid

Mol. Formula:
C20H22O3

M.W.:
310.39

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4560581

Name:
4-([2,4-Di-tert-butyl]phenoxymethyl)benzoic acid

Mol. Formula:
C22H28O3

M.W.:
340.46

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4560357

Name:
3'-(Propan-2-yloxy)-(1,1'-biphenyl)-4-carboxylic acid

Mol. Formula:
C16H16O3

M.W.:
256.30

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4559162

Name:
3'-Ethoxy-(1,1'-biphenyl)-4-carboxylic acid

Mol. Formula:
C15H14O3

M.W.:
242.27

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4554527

Name:
4-([{(5-Methyl-1,1'-biphenyl)-2-yl}oxy]methyl)benzoic acid

Mol. Formula:
C21H18O3

M.W.:
318.37

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4553859

Name:
4-((4-isopropylphenoxy)methyl)benzoic acid

Mol. Formula:
C17H18O3

M.W.:
270.33

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4552797

Name:
3',5'-Di-tert-butyl-2-methyl-(1,1'-biphenyl)-4-carboxylic acid

Mol. Formula:
C22H28O2

M.W.:
324.46

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4552520

Name:
3'-tert-Butyl-(1,1'-biphenyl)-4-carboxylic acid

Mol. Formula:
C17H18O2

M.W.:
254.33

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4551787

Name:
3',5'-Dimethyl-(1,1'-biphenyl)-4-carboxylic acid

Mol. Formula:
C15H14O2

M.W.:
226.28

8 activity values

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4536821

Name:
2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)butanoic acid

Mol. Formula:
C16H18ClN3O2S

M.W.:
351.86

10 activity values

7 unique targets

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
75.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4519831

Name:
2-(4-((2,3-dihydro-1H-inden-5-yloxy)methyl)phenyl)acetic acid

Mol. Formula:
C18H18O3

M.W.:
282.34

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4515368

Name:
3',5'-Di-tert-butyl-3-methyl-(1,1'-biphenyl)-4-carboxylic acid

Mol. Formula:
C22H28O2

M.W.:
324.46

13 activity values

9 unique targets

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4514278

Name:
4-([{4-tert-Butyl-2-chloro}phenoxy]methyl)benzoic acid

Mol. Formula:
C18H19ClO3

M.W.:
318.80

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4513928

Name:
3-(4-((2,3-dihydro-1H-inden-5-yloxy)methyl)phenyl)propanoic acid

Mol. Formula:
C19H20O3

M.W.:
296.37

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4473128

Name:
2-((2,3-dihydro-1H-inden-5-yloxy)methyl)benzoic acid

Mol. Formula:
C17H16O3

M.W.:
268.31

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4449565

Name:
4-([{6-Phenyl-5-indanyl}oxy]methyl)benzoic acid

Mol. Formula:
C23H20O3

M.W.:
344.41

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4445748

Name:
4-([{(5-tert-Butyl-1,1'-biphenyl)-2-yl}oxy]methyl)benzoic acid

Mol. Formula:
C24H24O3

M.W.:
360.45

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4441734

Name:
4-([{2,4-Bis(trifluoromethyl)}phenoxy]methyl)benzoic acid

Mol. Formula:
C16H10F6O3

M.W.:
364.24