MMsINC Database Search


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MMsINC code: MMs01488622

Type: Neutral
Formula: C₁₈H₁₈O₆

SMILES:

O(C)c1cc(OC)ccc1C(=O)COC(=O)c1ccccc1OC

InChI:

InChI=1/C18H18O6/c1-21-12-8-9-13(17(10-12)23-3)15(19)11-24-18(20)14-6-4-5-7-16(14)22-2/h4-10H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.157 kcal/mol

Physical Properties
Molecular Weight: 330.336 g/mol	logS: -4.017	SlogP: 2.7521	Reactive groups: 0

Topological Properties
Globularity: 0.00666337	Sterimol/B1: 2.3786	Sterimol/B2: 2.38377	Sterimol/B3: 2.5954
Sterimol/B4: 8.40417	Sterimol/L: 17.8332

Surface and Volume Properties
Accessible surface: 609.32	Positive charged surface: 444.352	Negative charged surface: 164.968	Volume: 308.625
Hydrophobic surface: 525.727	Hydrophilic surface: 83.593

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.