MMsINC Database Search


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MMsINC code: MMs02318022

Type: Neutral
Formula: C₁₈H₂₀O₄

SMILES:

O1CCOC(C1c1ccccc1OC)c1ccccc1OC

InChI:

InChI=1/C18H20O4/c1-19-15-9-5-3-7-13(15)17-18(22-12-11-21-17)14-8-4-6-10-16(14)20-2/h3-10,17-18H,11-12H2,1-2H3/t17-,18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.729 kcal/mol

Physical Properties
Molecular Weight: 300.354 g/mol	logS: -3.66122	SlogP: 3.724	Reactive groups: 0

Topological Properties
Globularity: 0.443409	Sterimol/B1: 1.969	Sterimol/B2: 2.30733	Sterimol/B3: 7.11074
Sterimol/B4: 8.80436	Sterimol/L: 11.2286

Surface and Volume Properties
Accessible surface: 512.847	Positive charged surface: 400.536	Negative charged surface: 112.311	Volume: 290.875
Hydrophobic surface: 486.437	Hydrophilic surface: 26.41

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.