Compounds

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
49.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2323449

Name:
(S)-3-((R)-13-hydroxy-13-((2R,5R)-5-((R)-1-hydroxytridecyl)tetrahydrofuran-Show More⌵

Mol. Formula:
C35H61F3O5

M.W.:
618.86

Type:
Small molecule

AlogP:
9.66

Polar Surface Area:
75.99

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA2323448

Name:
(R)-3-((R)-13-hydroxy-13-((2R,5R)-5-((R)-1-hydroxytridecyl)tetrahydrofuran-Show More⌵

Mol. Formula:
C35H64O5

M.W.:
564.89

Type:
Small molecule

AlogP:
9.12

Polar Surface Area:
75.99

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA2273121

Name:
N-(3,4-dimethoxybenzyl)-N-methyldodecanamide

Mol. Formula:
C22H37NO3

M.W.:
363.54

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2273120

Name:
4-(4-tert-butylphenoxy)-N-(2,5-dimethoxybenzyl)benzamide

Mol. Formula:
C26H29NO4

M.W.:
419.52

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
56.79

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2273116

Name:
4-(4-tert-butylphenoxy)-N-(3,4-dimethoxybenzyl)benzamide

Mol. Formula:
C26H29NO4

M.W.:
419.52

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
56.79

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2273109

Name:
N-(3,4-dimethylbenzyl)dodecanamide

Mol. Formula:
C21H35NO

M.W.:
317.52

Type:
Small molecule

AlogP:
5.84

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2273108

Name:
N-(2,5-dimethylbenzyl)dodecanamide

Mol. Formula:
C21H35NO

M.W.:
317.52

Type:
Small molecule

AlogP:
5.84

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2273106

Name:
N-(3-methoxybenzyl)dodecanamide

Mol. Formula:
C20H33NO2

M.W.:
319.49

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2273104

Name:
N-(3,5-dimethoxybenzyl)dodecanamide

Mol. Formula:
C21H35NO3

M.W.:
349.52

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2273100

Name:
N-(3,4-dimethoxybenzyl)dodecanamide

Mol. Formula:
C21H35NO3

M.W.:
349.52

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2272029

Name:
N,N-dimethyl-4-(4-tert-butylphenoxy)benzamide

Mol. Formula:
C19H23NO2

M.W.:
297.40

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2269865

Name:
(S)-3-Hydroxy-N-[2-methyl-4-(3-phenoxyphenyl)-3-oxopentanoyl]-pyrrolidine

Mol. Formula:
C22H25NO4

M.W.:
367.45

4 activity values

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2269864

Name:
N-[2-Methyl-4-(3-phenoxyphenyl)-3-oxopentanoyl]-2-pyrroline

Mol. Formula:
C22H23NO3

M.W.:
349.43

4 activity values

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2269863

Name:
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione

Mol. Formula:
C15H23NO2

M.W.:
249.35

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2269640

Name:
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione

Mol. Formula:
C15H25NO2

M.W.:
251.37

2 activity values

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2269639

Name:
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-(3-phenoxyphenyl)propan-1-one

Mol. Formula:
C19H19NO2

M.W.:
293.37

2 activity values

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2269638

Name:
2-[1-(Phenoxyphenyl)ethyl]-8(8aH)-hydroxy-3-methyl-4H-pyrrole[2,1-b]-[1.3]oShow More⌵

Mol. Formula:
C22H23NO4

M.W.:
365.43

4 activity values

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2269637

Name:
2-Hept-5-enyl-6,7-dihydro-3-methyl-4H-pyrrole[2,1-b]-[1.3]oxazine-4,8(8aH)-Show More⌵

Mol. Formula:
C15H22N2O3

M.W.:
278.35

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2269636

Name:
2-Heptyl-6,7-dihydro-3-methyl-4H-pyrrole[2,1-b]-[1.3]oxazine-4,8(8aH)-dioneShow More⌵

Mol. Formula:
C15H24N2O3

M.W.:
280.37

2 activity values