Compounds

ALA5272376

Name:
1-((3R,5aS,6R,8aS,9R,10R,12S,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epoxy[Show More⌵

Mol. Formula:
C34H54O8

M.W.:
590.80

Type:
---

AlogP:
7.05

Polar Surface Area:
73.84

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5272294

Name:
(3R,5aS,6R,8aS,9S,12R,12aR)-3,6-dimethyl-9-(((3R,5aS,6R,8aS,9R,10S,12S,12aRShow More⌵

Mol. Formula:
C35H54O9

M.W.:
618.81

Type:
---

AlogP:
6.97

Polar Surface Area:
90.91

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5272107

Name:
octadec-8-enoic acid

Mol. Formula:
C18H34O2

M.W.:
282.47

Type:
---

AlogP:
6.11

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5272053

Name:
(9Z,12Z,15Z)-N-(pyridin-3-ylmethyl)octadeca-9,12,15-trienamide

Mol. Formula:
C24H36N2O

M.W.:
368.57

Type:
---

AlogP:
6.29

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271839

Name:
5-amino-N-(2-fluoro-3-methoxy-phenyl)-1-[[4-(morpholinomethyl)phenyl]methylShow More⌵

Mol. Formula:
C22H25FN6O3

M.W.:
440.48

Type:
---

AlogP:
2.14

Polar Surface Area:
107.53

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5271760

Name:
ethyl 2-((1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2Show More⌵

Mol. Formula:
C13H19N3O7

M.W.:
329.31

Type:
---

AlogP:
-2.17

Polar Surface Area:
143.14

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5271567

Name:
(9Z,12Z,15Z)-N-(pyridin-2-ylmethyl)octadeca-9,12,15-trienamide

Mol. Formula:
C24H36N2O

M.W.:
368.57

Type:
---

AlogP:
6.29

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271287

Name:
3-[[4-(morpholinomethyl)phenyl]methyl]-5-(3-tetrahydropyran-4-yl-1,2,4-oxadShow More⌵

Mol. Formula:
C21H27N7O3

M.W.:
425.49

Type:
---

AlogP:
1.68

Polar Surface Area:
117.35

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5271217

Name:
1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-hydShow More⌵

Mol. Formula:
C9H15ClN4O5

M.W.:
294.69

Type:
---

AlogP:
-2.86

Polar Surface Area:
142.86

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5270789

Name:
5-amino-1-(1-(4-(tert-butyl)phenyl)ethyl)-N-(3-methoxyphenyl)-1H-1,2,3-triaShow More⌵

Mol. Formula:
C22H27N5O2

M.W.:
393.49

Type:
---

AlogP:
4.03

Polar Surface Area:
95.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5269961

Name:
5-amino-1-(4-cyanobenzyl)-N-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamiShow More⌵

Mol. Formula:
C18H16N6O2

M.W.:
348.37

Type:
---

AlogP:
2.04

Polar Surface Area:
118.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5269849

Name:
(S)-ethyl 2-((1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofurShow More⌵

Mol. Formula:
C20H25N3O7

M.W.:
419.43

Type:
---

AlogP:
-0.56

Polar Surface Area:
143.14

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5269665

Name:
7-(2-(4-(trifluoromethyl)benzoyl)hydrazine-1-carbonyl)tricyclo[3.2.2.02,4]nShow More⌵

Mol. Formula:
C19H17F3N2O4

M.W.:
394.35

Type:
---

AlogP:
2.24

Polar Surface Area:
95.50

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5269151

Name:
(S)-ethyl 2-((1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofurShow More⌵

Mol. Formula:
C14H21N3O7

M.W.:
343.34

Type:
---

AlogP:
-1.78

Polar Surface Area:
143.14

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5268989

Name:
N-(pyridin-2-ylmethyl)dodecanamide

Mol. Formula:
C18H30N2O

M.W.:
290.45

Type:
---

AlogP:
4.62

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5268775

Name:
N-Cyclopropyl-1-hydroxy-4-methyl-2-(3-nitrophenyl)-1H-imidazole-5-carboxamiShow More⌵

Mol. Formula:
C13H12N4O5

M.W.:
304.26

Type:
---

AlogP:
1.29

Polar Surface Area:
130.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5268560

Name:
N-(pyridin-4-ylmethyl)palmitamide

Mol. Formula:
C22H38N2O

M.W.:
346.56

Type:
---

AlogP:
6.18

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5268485

Name:
5-amino-N-(2-fluoro-5-methoxyphenyl)-1-(4-(morpholinomethyl)benzyl)-1H-1,2,Show More⌵

Mol. Formula:
C22H25FN6O3

M.W.:
440.48

Type:
---

AlogP:
2.14

Polar Surface Area:
107.53

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5268330

Name:
5-amino-N-(6-methoxypyrimidin-4-yl)-1-(4-(morpholinomethyl)benzyl)-1H-1,2,3Show More⌵

Mol. Formula:
C20H24N8O3

M.W.:
424.47

Type:
---

AlogP:
0.79

Polar Surface Area:
133.31

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5268308

Name:
(3R,5aS,6R,8aS,9S,12R,12aR)-9-(((3R,5aS,6R,8aS,9R,10S,12S,12aR)-10-butyl-3,Show More⌵

Mol. Formula:
C34H52O9

M.W.:
604.78

Type:
---

AlogP:
6.58

Polar Surface Area:
90.91

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS