Compounds

ALA5286518

Name:
(6S,11aS,11bS)-3-(hydroxy(o-tolyl)methyl)-9,10,11,
Show 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)-
Show 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)pheny
Show 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,
Show 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

ALA5280811

Name:
(6S,11aS,11bS)-3-(benzo[b]thiophen-3-yl(hydroxy)me
Show 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,
Show 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)
Show 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

ALA5291043

Name:
((3R,4R,4aS,6aS,7aR,10aR,11aR,11bR,11cR)-3-(benzoy
Show More⌵

Mol. Formula:
C34H34O8

M.W.:
570.64

Type:
---

AlogP:
5.02

Polar Surface Area:
103.96

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5290403

Name:
(65,11a5,11bS)-3-(hydroxy(3-nitrophenyl)methyl)-9,
Show 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

ALA5289913

Name:
(6S,11aS,11bS)-3-((2-chlorophenyl)(hydroxy)methyl)
Show 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

ALA1092065

Name:
2'-beta-D-Arabinouridine

Cas Number:
3083-77-0

Mol. Formula:
C9H12N2O6

M.W.:
244.20

46 activity values

27 unique targets

Type:
Small molecule

AlogP:
-2.85

Polar Surface Area:
124.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1092681

Name:
arabinouridine-5'-[1-naphthyl-(isopropoxy-L-alanin
Show More⌵

Mol. Formula:
C25H30N3O10P

M.W.:
563.50

25 activity values

23 unique targets

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
178.41

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1091853

Name:
arabinouridine-5'-[phenyl-(benzoxy-glycinyl)]-phos
Show More⌵

Mol. Formula:
C24H26N3O10P

M.W.:
547.46

25 activity values

23 unique targets

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
178.41

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1091516

Name:
arabinouridine-5'-[phenyl-(methoxy-L-alaninyl)]-ph
Show More⌵

Mol. Formula:
C19H24N3O10P

M.W.:
485.39

25 activity values

23 unique targets

Type:
Small molecule

AlogP:
-0.49

Polar Surface Area:
178.41

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1091515

Name:
arabinouridine-5'-[phenyl-(benzoxy-L-alaninyl)]-ph
Show More⌵

Mol. Formula:
C25H28N3O10P

M.W.:
561.48

26 activity values

24 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
178.41

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA1088774

Name:
arabinouridine-5'-[phenyl-(benzoxy-D-alaninyl)]-ph
Show More⌵

Mol. Formula:
C25H28N3O10P

M.W.:
561.48

25 activity values

23 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
178.41

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5277073

Name:
(6S,11aS,11bS)-3-(hydroxy(4-(methylsulfonyl)phenyl
Show 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)meth
Show 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)me
Show 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