MMsINC Database Search


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MMsINC code: MMs00610321

Type: Neutral
Formula: C₁₆H₁₄O₅

SMILES:

O(C(=O)c1ccc(OC)cc1)c1ccccc1C(OC)=O

InChI:

InChI=1/C16H14O5/c1-19-12-9-7-11(8-10-12)15(17)21-14-6-4-3-5-13(14)16(18)20-2/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7345 kcal/mol

Physical Properties
Molecular Weight: 286.283 g/mol	logS: -3.93105	SlogP: 2.701	Reactive groups: 0

Topological Properties
Globularity: 0.07915	Sterimol/B1: 2.2737	Sterimol/B2: 5.06037	Sterimol/B3: 5.38377
Sterimol/B4: 5.71712	Sterimol/L: 15.962

Surface and Volume Properties
Accessible surface: 533.564	Positive charged surface: 357.684	Negative charged surface: 175.88	Volume: 269.625
Hydrophobic surface: 475.834	Hydrophilic surface: 57.73

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.