ID: ALA367128

Max Phase: Preclinical

Molecular Formula: C20H34N2O4

Molecular Weight: 366.50

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[C@@H]1OCC2(CN3CCC2CC3)O1.C[C@H]1OCC2(CN3CCC2CC3)O1

Standard InChI:  InChI=1S/2C10H17NO2/c2*1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h2*8-9H,2-7H2,1H3/t2*8-,10?/m10/s1

Standard InChI Key:  RLZMELVJWCYHEW-HBBRWFBTSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 366.50

Molecular Weight (Monoisotopic): 366.2519

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Saunders J, Showell GA, Baker R, Freedman SB, Hill D, McKnight A, Newberry N, Salamone JD, Hirshfield J, Springer JP..  (1987)  Synthesis and characterization of all four isomers of the muscarinic agonist 2'-methylspiro[1-azabicyclo[2.2.2]octane-3,4'-[1,3]dioxolane].,  30  (6): [PMID:3585909] [10.1021/jm00389a003]

Source

Source(1):

• Scientific Literature