MMsINC Database Search


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MMsINC code: MMs00609243

Type: Neutral
Formula: C₁₄H₁₄O₅

SMILES:

o1c(ccc1COc1ccccc1OC)C(OC)=O

InChI:

InChI=1/C14H14O5/c1-16-11-5-3-4-6-12(11)18-9-10-7-8-13(19-10)14(15)17-2/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0012 kcal/mol

Physical Properties
Molecular Weight: 262.261 g/mol	logS: -3.53976	SlogP: 2.9202	Reactive groups: 0

Topological Properties
Globularity: 0.0920851	Sterimol/B1: 2.3705	Sterimol/B2: 3.51367	Sterimol/B3: 4.74461
Sterimol/B4: 7.05649	Sterimol/L: 15.7429

Surface and Volume Properties
Accessible surface: 523.537	Positive charged surface: 353.389	Negative charged surface: 170.148	Volume: 246.5
Hydrophobic surface: 444.24	Hydrophilic surface: 79.297

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.