Compounds

ALA5272675

Name:
1-(7-((3-hydroxybenzyl)(methyl)amino)hexyl)-5-methoxy-1H-indole-3-carbaldehShow More⌵

Mol. Formula:
C25H32N2O3

M.W.:
408.54

Type:
---

AlogP:
5.25

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5272544

Name:
5-(3-((1-(3-chlorobenzyl)piperidin-4-yl)methoxy)phenyl)-3-(6-methylpyridin-Show More⌵

Mol. Formula:
C27H27ClN4O2

M.W.:
474.99

Type:
---

AlogP:
6.05

Polar Surface Area:
64.28

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5272180

Name:
2-methoxy-10-(6-(4-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)teShow More⌵

Mol. Formula:
C29H36N4O8

M.W.:
568.63

Type:
---

AlogP:
1.33

Polar Surface Area:
161.32

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5272166

Name:
(3-((3-(3-(6-methylpyridin-3-yl)-1,2,4-oxadiazol-5-yl)phenoxy)methyl)piperiShow More⌵

Mol. Formula:
C27H25FN4O3

M.W.:
472.52

Type:
---

AlogP:
5.18

Polar Surface Area:
81.35

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5272152

Name:
5-(3-((1-(4-methoxybenzyl)piperidin-4-yl)methoxy)phenyl)-3-(6-methylpyridinShow More⌵

Mol. Formula:
C28H30N4O3

M.W.:
470.57

Type:
---

AlogP:
5.41

Polar Surface Area:
73.51

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5271902

Name:
3-(6-methylpyridin-3-yl)-5-(3-((1-(pyridin-3-ylmethyl)piperidin-4-yl)methoxShow More⌵

Mol. Formula:
C26H27N5O2

M.W.:
441.54

Type:
---

AlogP:
4.79

Polar Surface Area:
77.17

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5271644

Name:
1-(8-((3-hydroxybenzyl)(methyl)amino)hexyl)-5-methoxy-1H-indole-3-carbaldehShow More⌵

Mol. Formula:
C26H34N2O3

M.W.:
422.57

Type:
---

AlogP:
5.64

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271574

Name:
(2S,3S,4R)-2-((S)-1-(benzyloxy)-2-(dodecylamino)-2-oxoethyl)-5-(4-phenyl-1HShow More⌵

Mol. Formula:
C37H50N4O7

M.W.:
662.83

Type:
---

AlogP:
6.33

Polar Surface Area:
130.87

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5271098

Name:
(4aS,6R,8aS)-3-methoxy-11-(4-(pyridin-2-yl)phenyl)-4a,5,9,10,11,12-hexahydrShow More⌵

Mol. Formula:
C27H26N2O3

M.W.:
426.52

Type:
---

AlogP:
4.49

Polar Surface Area:
54.82

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5271051

Name:
1-(4-((4-hydroxybenzyl)(methyl)amino)butyl)-5-methoxy-1H-indole-3-carbaldehShow More⌵

Mol. Formula:
C22H26N2O3

M.W.:
366.46

Type:
---

AlogP:
4.08

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5270930

Name:
(E)-2-(2-(1-(4-chlorobenzyl)-1,2,3,6-tetrahydropyridin-4-yl)vinyl)quinolin-Show More⌵

Mol. Formula:
C23H22Cl2N2O

M.W.:
413.35

Type:
---

AlogP:
5.44

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5270796

Name:
3-undecyl-1,4-benzoquinone

Mol. Formula:
C17H26O2

M.W.:
262.39

Type:
---

AlogP:
4.54

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5270722

Name:
5-hydroxy-1-(12-((3-hydroxybenzyl)(methyl)amino)dodecyl)-1H-indole-3-carbalShow More⌵

Mol. Formula:
C29H40N2O3

M.W.:
464.65

Type:
---

AlogP:
6.90

Polar Surface Area:
65.70

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5270630

Name:
(4aS,6R,8aS)-3-methoxy-11-(6-methylpyridin-2-yl)-4a,5,9,10,11,12-hexahydro-Show More⌵

Mol. Formula:
C22H24N2O3

M.W.:
364.44

Type:
---

AlogP:
3.13

Polar Surface Area:
54.82

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5270498

Name:
Epibuphanisine

Mol. Formula:
C17H19NO3

M.W.:
285.34

Type:
---

AlogP:
2.22

Polar Surface Area:
30.93

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5270433

Name:
(4aS,6R,8aS)-11-(4'-ethyl-[1,1'-biphenyl]-4-yl)-3-methoxy-4a,5,9,10,11,12-hShow More⌵

Mol. Formula:
C30H31NO3

M.W.:
453.58

Type:
---

AlogP:
5.65

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5270288

Name:
3-(4-Methylpiperazin-1-yl)propyl benzofuran-2-carboxylate

Mol. Formula:
C17H22N2O3

M.W.:
302.37

Type:
---

AlogP:
2.23

Polar Surface Area:
45.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5270151

Name:
3-(4-Methylpiperazin-1-yl)propyl naphthalene-2-carboxylate

Mol. Formula:
C19H24N2O2

M.W.:
312.41

Type:
---

AlogP:
2.63

Polar Surface Area:
32.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5270044

Name:
(E)-5,7-dichloro-2-(2-(1-(3-methylbenzyl)-1,2,3,6-tetrahydropyridin-4-yl)viShow More⌵

Mol. Formula:
C24H23Cl3N2O

M.W.:
461.82

Type:
---

AlogP:
6.40

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5269964

Name:
(3R,4S,5S)-4-(benzyloxy)-5-((S)-1-(benzyloxy)-2-(dodecylamino)-2-oxoethyl)tShow More⌵

Mol. Formula:
C36H51NO8

M.W.:
625.80

Type:
---

AlogP:
6.41

Polar Surface Area:
109.39

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.13

DETAILS