ID: ALA4299160

Max Phase: Preclinical

Molecular Formula: C22H46Cl2O4Si

Molecular Weight: 400.68

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.Cl.Cl.[SiH4]

Standard InChI:  InChI=1S/2C11H20O2.2ClH.H4Si/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7H2,1-6H3;2*1H;1H4

Standard InChI Key:  XTFJEYUJHIZXCX-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: 400.68

Molecular Weight (Monoisotopic): 400.3009

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. PubChem BioAssay data set, 

Source

Source(1):

• PubChem BioAssays