Compounds

Type:
Unknown

AlogP:
7.08

Polar Surface Area:
101.89

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4561585

Name:
6-(1-(4-(4,5-bis(4-fluorophenyl)oxazol-2-yl)phenyl)-1H-1,2,3-triazol-4-yl)-Show More⌵

Mol. Formula:
C38H23F4N9O

M.W.:
697.66

Type:
Unknown

AlogP:
9.15

Polar Surface Area:
119.47

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4554854

Name:
4,5-bis(4-chlorophenyl)-2-(((4-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)phShow More⌵

Mol. Formula:
C30H19Cl2FN4O3S

M.W.:
605.48

Type:
Unknown

AlogP:
7.68

Polar Surface Area:
90.88

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4538392

Name:
4,5-bis(4-fluorophenyl)-2-(((4-(4-(2-methoxyphenyl)-1H-1,2,3-triazol-1-yl)pShow More⌵

Mol. Formula:
C31H22F2N4O4S

M.W.:
584.60

Type:
Unknown

AlogP:
6.52

Polar Surface Area:
100.11

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4457485

Name:
6-(1-(3-(4,5-bis(4-fluorophenyl)oxazol-2-yl)phenyl)-1H-1,2,3-triazol-4-yl)-Show More⌵

Mol. Formula:
C38H23F4N9O

M.W.:
697.66

Type:
Unknown

AlogP:
9.15

Polar Surface Area:
119.47

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3986271

Name:
(4R,5R)-4-Hydroxy-5-tridecyl-dihydrofuran-2(3H)-one

Mol. Formula:
C17H32O3

M.W.:
284.44

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3982590

Name:
(S)-2-Heptyl-4-methyl-5-oxo-2,5-dihydrofuran-3-carboxylic acid

Mol. Formula:
C13H20O4

M.W.:
240.30

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3974601

Name:
(R)-4-Methyl-2-nonyl-5-oxo-2,5-dihydrofuran-3-carboxylic acid

Mol. Formula:
C15H24O4

M.W.:
268.35

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3953019

Name:
(S)-2-Hexadecyl-4-methyl-5-oxo-2,5-dihydrofuran-3-carboxylic acid

Mol. Formula:
C22H38O4

M.W.:
366.54

8 activity values

Type:
Small molecule

AlogP:
6.18

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3930621

Name:
(R)-5-Tridecylfuran-2(5H)-one

Mol. Formula:
C17H30O2

M.W.:
266.42

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3921685

Name:
(4R,5R)-5-Tridecyl-4-vinyl-dihydrofuran-2(3H)-one

Mol. Formula:
C19H34O2

M.W.:
294.48

Type:
Small molecule

AlogP:
5.81

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3916503

Name:
(4R,5R)-4-Hydroxy-5-nonyl-dihydrofuran-2(3H)-one

Mol. Formula:
C13H24O3

M.W.:
228.33

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3912698

Name:
(S)-4-Methyl-2-nonyl-5-oxo-2,5-dihydrofuran-3-carboxylic acid

Mol. Formula:
C15H24O4

M.W.:
268.35

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3903682

Name:
(-)-Lichesterinic acid

Mol. Formula:
C19H32O4

M.W.:
324.46

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3902636

Name:
(R)-5-Nonylfuran-2(5H)-one

Mol. Formula:
C13H22O2

M.W.:
210.32

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3894744

Name:
(S)-4-Methyl-5-oxo-2-pentadecyl-2,5-dihydrofuran-3-carboxylic acid

Mol. Formula:
C21H36O4

M.W.:
352.52

8 activity values

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3893666

Name:
(4R,5R)-5-Nonyl-4-vinyl-dihydrofuran-2(3H)-one

Mol. Formula:
C15H26O2

M.W.:
238.37