MMsINC Database Search


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MMsINC code: MMs03540574

Type: Neutral
Formula: C₁₆H₂₄O₅

SMILES:

O1Cc2cc(COCCOCCOCCOCC1)ccc2

InChI:

InChI=1/C16H24O5/c1-2-15-12-16(3-1)14-21-11-9-19-7-5-17-4-6-18-8-10-20-13-15/h1-3,12H,4-11,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9721 kcal/mol

Physical Properties
Molecular Weight: 296.363 g/mol	logS: -2.19404	SlogP: 2.316	Reactive groups: 0

Topological Properties
Globularity: 0.0458316	Sterimol/B1: 2.78222	Sterimol/B2: 3.05079	Sterimol/B3: 5.58709
Sterimol/B4: 6.00831	Sterimol/L: 14.4622

Surface and Volume Properties
Accessible surface: 551.179	Positive charged surface: 463.355	Negative charged surface: 87.8237	Volume: 297.5
Hydrophobic surface: 529.317	Hydrophilic surface: 21.862

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.