Compounds

Type:
Unknown

AlogP:
7.45

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4795105

Name:
N-(3,4-Dimethoxybenzyl)octadeca-9Z,12Z-dienamide

Mol. Formula:
C27H43NO3

M.W.:
429.65

Type:
Unknown

AlogP:
7.13

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4783862

Name:
N-Benzylicosa-5Z,8Z,11Z,14Z,17Z-pentaenamide

Mol. Formula:
C27H37NO

M.W.:
391.60

Type:
Unknown

AlogP:
7.22

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4779803

Name:
N-(3,4-Dimethoxybenzyl)octadeca-9Z,12Z,15Z-trienamide

Mol. Formula:
C27H41NO3

M.W.:
427.63

Type:
Unknown

AlogP:
6.91

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4762433

Name:
N-(3,4-Dimethoxybenzyl)hexadecanamide

Mol. Formula:
C25H43NO3

M.W.:
405.62

Type:
Unknown

AlogP:
6.80

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4756519

Name:
N-(3-Methoxybenzyl)icosa-5Z,8Z,11Z,14Z,17Z-pentaenamide

Mol. Formula:
C28H39NO2

M.W.:
421.63

Type:
Unknown

AlogP:
7.23

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4753325

Name:
N-(3-Methoxybenzyl)icosa-5Z,8Z,11Z,14Z-tetraenamide

Mol. Formula:
C28H41NO2

M.W.:
423.64

Type:
Unknown

AlogP:
7.46

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4749954

Name:
N-Phenethyloctadeca-9Z,12Z-dienamide

Mol. Formula:
C26H41NO

M.W.:
383.62

5 activity values

4 unique targets

Type:
Unknown

AlogP:
7.16

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4744679

Name:
N-Phenethyloctadeca-9Z,12Z,15Z-trienamide

Mol. Formula:
C26H39NO

M.W.:
381.60

Type:
Unknown

AlogP:
6.93

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4742239

Name:
N-(3-Methoxybenzyl)octadecanamide

Mol. Formula:
C26H45NO2

M.W.:
403.65

Type:
Unknown

AlogP:
7.57

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3946710

Name:
US9296693, 74

Mol. Formula:
C18H27N3O3S

M.W.:
365.50

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2436590

Name:
8-pivaloyl-N-(4-(trifluoromethoxy)phenyl)-2,8-diazaspiro[4.5]decane-2-carboShow More⌵

Mol. Formula:
C21H28F3N3O3

M.W.:
427.47

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2436587

Name:
8-(2,2-difluorocyclopropanecarbonyl)-N-(4-(trifluoromethoxy)phenyl)-2,8-diaShow More⌵

Mol. Formula:
C20H22F5N3O3

M.W.:
447.40

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2436586

Name:
N-(4-(trifluoromethoxy)phenyl)-8-(1-(trifluoromethyl)cyclopropanecarbonyl)-Show More⌵

Mol. Formula:
C21H23F6N3O3

M.W.:
479.42

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2436585

Name:
8-(4-hydroxycyclohexanecarbonyl)-N-(4-(trifluoromethoxy)phenyl)-2,8-diazaspShow More⌵

Mol. Formula:
C23H30F3N3O4

M.W.:
469.50

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
82.11

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2436581

Name:
8-(furan-2-carbonyl)-N-(4-(trifluoromethoxy)phenyl)-2,8-diazaspiro[4.5]decaShow More⌵

Mol. Formula:
C21H22F3N3O4

M.W.:
437.42

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
75.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2436579

Name:
8-(5-cyclopropylisoxazole-4-carbonyl)-N-(4-(trifluoromethoxy)phenyl)-2,8-diShow More⌵

Mol. Formula:
C23H25F3N4O4

M.W.:
478.47

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
87.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2436578

Name:
8-(5-methylisoxazole-3-carbonyl)-N-(4-(trifluoromethoxy)phenyl)-2,8-diazaspShow More⌵

Mol. Formula:
C21H23F3N4O4

M.W.:
452.43

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
87.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2436574

Name:
8-(2-chlorobenzoyl)-N-(4-(trifluoromethoxy)phenyl)-2,8-diazaspiro[4.5]decanShow More⌵

Mol. Formula:
C23H23ClF3N3O3

M.W.:
481.90

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2436563

Name:
8-(2,6-difluorobenzoyl)-N-(4-(trifluoromethyl)phenyl)-2,8-diazaspiro[4.5]deShow More⌵

Mol. Formula:
C23H22F5N3O2

M.W.:
467.44