ID: ALA4248427

Max Phase: Preclinical

Molecular Formula: C10H19NO3SSi

Molecular Weight: 261.42

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[C@H](CS)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)O

Standard InChI:  InChI=1S/C10H19NO3SSi/c1-7(4-15)9(12)11-6-16(2,3)5-8(11)10(13)14/h7-8,15H,4-6H2,1-3H3,(H,13,14)/t7-,8+/m1/s1

Standard InChI Key:  HIELEDJWYDZOEX-SFYZADRCSA-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: 261.42

Molecular Weight (Monoisotopic): 261.0855

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. 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