Compounds

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4649542

Name:
(S)-1-(3,4-Difluorophenyl)hex-1-yn-3-ol

Mol. Formula:
C12H12F2O

M.W.:
210.22

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA4649231

Name:
(E)-1-(4-(Dimethylamino)phenyl)-5-hydroxyoct-1-en-3-one

Mol. Formula:
C16H23NO2

M.W.:
261.37

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4649011

Name:
(E)-1-(4-Chlorophenyl)-5-hydroxyoct-1-en-3-one

Mol. Formula:
C14H17ClO2

M.W.:
252.74

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4648877

Name:
(E)-4-(3-Hydroxyoct-1-en-1-yl)-2-methoxyphenol

Mol. Formula:
C15H22O3

M.W.:
250.34

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4648265

Name:
(E)-1-(3,4-Dihydroxyphenyl)-5-hydroxyoct-1-en-3-one

Mol. Formula:
C14H18O4

M.W.:
250.29

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4648230

Name:
(E)-5-Hydroxy-1-(4-methoxyphenyl)oct-1-en-3-one

Mol. Formula:
C15H20O3

M.W.:
248.32

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4647922

Name:
(E)-5-Hydroxy-1-(p-tolyl)oct-1-en-3-one

Mol. Formula:
C15H20O2

M.W.:
232.32

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4647690

Name:
(E)-5-Hydroxy-1-(4-hydroxyphenyl)oct-1-en-3-one

Mol. Formula:
C14H18O3

M.W.:
234.29

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4647148

Name:
(E)-5-Hydroxy-1-(3-hydroxyphenyl)oct-1-en-3-one

Mol. Formula:
C14H18O3

M.W.:
234.29

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4647067

Name:
(R)-1-(3,4-Difluorophenyl)hept-1-yn-3-ol

Mol. Formula:
C13H14F2O

M.W.:
224.25

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA4646968

Name:
(E)-5-Hydroxy-1-(3-methoxyphenyl)oct-1-en-3-one

Mol. Formula:
C15H20O3

M.W.:
248.32

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4646922

Name:
(R)-1-(3,4-Difluorophenyl)oct-1-yn-3-ol

Mol. Formula:
C14H16F2O

M.W.:
238.28

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4646659

Name:
1-(4-Hydroxy-3-methoxyphenyl)oct-1-yn-3-one

Mol. Formula:
C15H18O3

M.W.:
246.31

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4646606

Name:
(R)-4-(3-Hydroxyoct-1-yn-1-yl)-2-methoxyphenol

Mol. Formula:
C15H20O3

M.W.:
248.32

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4646126

Name:
1-(3,4-Dihydroxyphenyl)-5-hydroxyoctan-3-one

Mol. Formula:
C14H20O4

M.W.:
252.31

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4645965

Name:
5-Hydroxy-1-(3-hydroxyphenyl)octan-3-one

Mol. Formula:
C14H20O3

M.W.:
236.31

Type:
Unknown

AlogP:
2.45

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4645563

Name:
5-Hydroxy-1-(4-methoxyphenyl)octan-3-one

Mol. Formula:
C15H22O3

M.W.:
250.34

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4645227

Name:
1-(3-Fluoro-4-hydroxyphenyl)-5-hydroxyoctan-3-one

Mol. Formula:
C14H19FO3

M.W.:
254.30

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4645208

Name:
1-(3,4-difluorophenyl)hept-1-yn-3-one

Mol. Formula:
C13H12F2O

M.W.:
222.23