MMsINC Database Search


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MMsINC code: MMs00017298

Type: Neutral
Formula: C₂₄H₃₂O₈

SMILES:

O1CCOCCOc2c(OCCOCCOc3c(OCCOCC1)cccc3)cccc2

InChI:

InChI=1/C24H32O8/c1-3-7-23-21(5-1)29-17-13-26-11-9-25-10-12-27-14-18-30-22-6-2-4-8-24(22)32-20-16-28-15-19-31-23/h1-8H,9-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=178.934 kcal/mol

Physical Properties
Molecular Weight: 448.512 g/mol	logS: -4.10014	SlogP: 2.982	Reactive groups: 0

Topological Properties
Globularity: 0.0296116	Sterimol/B1: 2.42129	Sterimol/B2: 3.67817	Sterimol/B3: 4.4914
Sterimol/B4: 9.06604	Sterimol/L: 19.3065

Surface and Volume Properties
Accessible surface: 786.458	Positive charged surface: 617.512	Negative charged surface: 168.946	Volume: 435.375
Hydrophobic surface: 751.756	Hydrophilic surface: 34.702

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.