ID: ALA2311600

Max Phase: Preclinical

Molecular Formula: C15H25NO2Si

Molecular Weight: 279.46

Molecule Type: Small molecule

Representations

Canonical SMILES:  COc1ccc(C(CN(C)C)[Si]2(O)CCCC2)cc1

Standard InChI:  InChI=1S/C15H25NO2Si/c1-16(2)12-15(19(17)10-4-5-11-19)13-6-8-14(18-3)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3

Standard InChI Key:  NPHHKEQIFWZXEX-UHFFFAOYSA-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: 279.46

Molecular Weight (Monoisotopic): 279.1655

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. Franz AK, Wilson SO..  (2013)  Organosilicon molecules with medicinal applications.,  56  (2): [PMID:23061607] [10.1021/jm3010114]

2. Ramesh R, Reddy DS..  (2018)  Quest for Novel Chemical Entities through Incorporation of Silicon in Drug Scaffolds.,  61  (9): [PMID:29039662] [10.1021/acs.jmedchem.7b00718]

Source

Source(1):

• Scientific Literature