Compounds

ALA5272067

Name:
(6S,11aS,11bS)-3-((4-bromophenyl)(hydroxy)methyl)-9,10,11,11a-tetrahydro-8HShow More⌵

Mol. Formula:
C20H20BrNO3

M.W.:
402.29

Type:
---

AlogP:
3.27

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5272002

Name:
3-(hydroxy((6S,11aS,11bS)-2-oxo-2,6,9,10,11,11a-hexahydro-8H-6,11b-methanofShow More⌵

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
---

AlogP:
2.38

Polar Surface Area:
73.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5271825

Name:
(6S,11aS,11bS)-3-((4-chlorophenyl)(hydroxy)methyl)-9,10,11,11a-tetrahydro-8Show More⌵

Mol. Formula:
C20H20ClNO3

M.W.:
357.84

Type:
---

AlogP:
3.16

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5271006

Name:
(6S,11aS,11bS)-3-((2,4-difluorophenyl)(hydroxy)methyl)-9,10,11,11a-tetrahydShow More⌵

Mol. Formula:
C20H19F2NO3

M.W.:
359.37

Type:
---

AlogP:
2.79

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5270972

Name:
(6S,11aS,11bS)-3-(hydroxy(phenyl)methyl)-9,10,11,11a-tetrahydro-8H-6,11b-meShow More⌵

Mol. Formula:
C20H21NO3

M.W.:
323.39

Type:
---

AlogP:
2.51

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5269250

Name:
(6S,11aS,11bS)-3-(hydroxy(4-nitrophenyl)methyl)-9,10,11,11a-tetrahydro-8H-6Show More⌵

Mol. Formula:
C20H20N2O5

M.W.:
368.39

Type:
---

AlogP:
2.42

Polar Surface Area:
92.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5268987

Name:
(6S,11aS,11bS)-3-((3-fluorophenyl)(hydroxy)methyl)-9,10,11,11a-tetrahydro-8Show More⌵

Mol. Formula:
C20H20FNO3

M.W.:
341.38

Type:
---

AlogP:
2.65

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5268280

Name:
(6S,11aS,11bS)-3-((2-fluorophenyl)(hydroxy)methyl)-9,10,11,11a-tetrahydro-8Show More⌵

Mol. Formula:
C20H20FNO3

M.W.:
341.38

Type:
---

AlogP:
2.65

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5267841

Name:
(2Z)-2-[(4-acetylphenyl)methylene]-5-hydroxy-6-methoxy-benzofuran-3-one

Mol. Formula:
C18H14O5

M.W.:
310.31

Type:
---

AlogP:
3.22

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5280811

Name:
(6S,11aS,11bS)-3-(benzo[b]thiophen-3-yl(hydroxy)methyl)-9,10,11,11a-tetrahyShow More⌵

Mol. Formula:
C22H21NO3S

M.W.:
379.48

Type:
---

AlogP:
3.72

Polar Surface Area:
49.77

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5278296

Name:
(6S,11aS,11bS)-3-(hydroxy(p-tolyl)methyl)-9,10,11,11a-tetrahydro-8H-6,11b-mShow More⌵

Mol. Formula:
C21H23NO3

M.W.:
337.42

Type:
---

AlogP:
2.82

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5278108

Name:
(6S,11aS,11bS)-3-((4-fluorophenyl)(hydroxy)methyl)-9,10,11,11a-tetrahydro-8Show More⌵

Mol. Formula:
C20H20FNO3

M.W.:
341.38

Type:
---

AlogP:
2.65

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5277073

Name:
(6S,11aS,11bS)-3-(hydroxy(4-(methylsulfonyl)phenyl)(methyl)-9,10,11,11a-tetShow More⌵

Mol. Formula:
C21H23NO5S

M.W.:
401.48

Type:
---

AlogP:
1.91

Polar Surface Area:
83.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5274280

Name:
(6S,11aS,11bS)-3-((2,4-dinitrophenyl)(hydroxy)methyl)-9,10,11,11a-tetrahydrShow More⌵

Mol. Formula:
C20H19N3O7

M.W.:
413.39

Type:
---

AlogP:
2.33

Polar Surface Area:
136.05

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5273315

Name:
(6S,11aS,11bS)-3-((4-(tert-butyl)phenyl(hydroxy)methyl)-9,10,11,11a-tetrahyShow More⌵

Mol. Formula:
C24H29NO3

M.W.:
379.50

Type:
---

AlogP:
3.81

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5286518

Name:
(6S,11aS,11bS)-3-(hydroxy(o-tolyl)methyl)-9,10,11,11a-tetrahydro-8H-6,11b-mShow More⌵

Mol. Formula:
C21H23NO3

M.W.:
337.42

Type:
---

AlogP:
2.82

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5286304

Name:
(6S,11aS,11bS)-3-((2-bromophenyl)(hydroxy)methyl)-9,10,11,11a-tetrahydro-8HShow More⌵

Mol. Formula:
C20H20BrNO3

M.W.:
402.29

Type:
---

AlogP:
3.27

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5285956

Name:
(6S,11aS,11bS)-3-(hydroxy(4-(trifluoromethyl)phenyl)(methyl)-9,10,11,11a-teShow More⌵

Mol. Formula:
C21H20F3NO3

M.W.:
391.39

Type:
---

AlogP:
3.53

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5285445

Name:
(6S,11aS,11bS)-3-(hydroxy(2-nitrophenyl)methyl)-9,10,11,11a-tetrahydro-8H-6Show More⌵

Mol. Formula:
C20H20N2O5

M.W.:
368.39

Type:
---

AlogP:
2.42

Polar Surface Area:
92.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5284456

Name:
Allosecurinine

Mol. Formula:
C13H15NO2

M.W.:
217.27

Type:
---

AlogP:
1.41

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS