Compounds

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4800461

Name:
(3S,3aR)-5-(4-methoxyphenyl)-3-p-tolyl-3,3a-dihydrospiro[furo[3,4-c]pyrroleShow More⌵

Mol. Formula:
C28H21NO6

M.W.:
467.48

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
89.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4799136

Name:
(3S,3aR,6aS)-5-(5-chloro-2-methylphenyl)-3-phenyl-3,3a-dihydrospiro[furo[3,Show More⌵

Mol. Formula:
C27H18ClNO5

M.W.:
471.90

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4798759

Name:
(3S,3aR)-3-(3-chlorophenyl)-5-p-tolyl-3,3a-dihydrospiro[furo[3,4-c]pyrrole-Show More⌵

Mol. Formula:
C27H18ClNO5

M.W.:
471.90

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4795137

Name:
(3S,3aR)-5-cyclopentyl-3-p-tolyl-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-Show More⌵

Mol. Formula:
C26H23NO5

M.W.:
429.47

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4794886

Name:
(3S,3aR,6aS)-5-(3-chlorophenyl)-3-phenyl-3,3a-dihydrospiro[furo[3,4-c]pyrroShow More⌵

Mol. Formula:
C26H16ClNO5

M.W.:
457.87

4 activity values

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4794601

Name:
(3R,3aR)-5-(2-chlorophenyl)-3-phenethyl-3,3a-dihydrospiro[furo[3,4-c]pyrrolShow More⌵

Mol. Formula:
C28H20ClNO5

M.W.:
485.92

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4790339

Name:
(3R,3aR)-5-(2-chlorophenyl)-3-cyclopropyl-3,3a-dihydrospiro[furo[3,4-c]pyrrShow More⌵

Mol. Formula:
C23H16ClNO5

M.W.:
421.84

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4789237

Name:
(3S,3aR)-3-(4-ethylphenyl)-5-p-tolyl-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1Show More⌵

Mol. Formula:
C29H23NO5

M.W.:
465.51

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4788182

Name:
(3S,3aR,6aS)-5-(3-chloro-4-methylphenyl)-3-phenyl-3,3a-dihydrospiro[furo[3,Show More⌵

Mol. Formula:
C27H18ClNO5

M.W.:
471.90

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4787822

Name:
(3S,3aR)-3-(4-ethoxyphenyl)-5-p-tolyl-3,3a-dihydrospiro[furo[3,4-c]pyrrole-Show More⌵

Mol. Formula:
C29H23NO6

M.W.:
481.50

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
89.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4786932

Name:
(3S,3aR)-5-(2-fluoro-4-methylphenyl)-3-p-tolyl-3,3a-dihydrospiro[furo[3,4-cShow More⌵

Mol. Formula:
C28H20FNO5

M.W.:
469.47

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4786826

Name:
(3R,3aR)-3-benzyl-5-(2-chlorophenyl)-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1Show More⌵

Mol. Formula:
C27H18ClNO5

M.W.:
471.90

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4786696

Name:
(3S,3aR)-5-isobutyl-3-p-tolyl-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indShow More⌵

Mol. Formula:
C25H23NO5

M.W.:
417.46

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4784488

Name:
(3S,3aR)-5-(3-chloro-4-fluorophenyl)-3-p-tolyl-3,3a-dihydrospiro[furo[3,4-cShow More⌵

Mol. Formula:
C27H17ClFNO5

M.W.:
489.89

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4783349

Name:
(3S,3aR,6aS)-5-(2-chlorophenyl)-3-o-tolyl-3,3a-dihydrospiro[furo[3,4-c]pyrrShow More⌵

Mol. Formula:
C27H18ClNO5

M.W.:
471.90

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4782169

Name:
Forskolin

Mol. Formula:
C22H34O6

M.W.:
394.51

5 activity values

2 unique targets

Type:
Unknown

AlogP:
2.00

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4781262

Name:
(3S,3aR)-4'-bromo-5-(2-chlorophenyl)-3-p-tolyl-3,3a-dihydrospiro[furo[3,4-cShow More⌵

Mol. Formula:
C27H17BrClNO5

M.W.:
550.79

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4779970

Name:
(3S,3aR)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,3a-dihydrospiro[furo[3,4-cShow More⌵

Mol. Formula:
C26H15ClFNO5

M.W.:
475.86

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4777571

Name:
(3S,3aR)-5'-chloro-5-(2-chlorophenyl)-3-p-tolyl-3,3a-dihydrospiro[furo[3,4-Show More⌵

Mol. Formula:
C27H17Cl2NO5

M.W.:
506.34