MMsINC Database Search


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MMsINC code: MMs00003452

Type: Neutral
Formula: C₁₁H₁₄O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)C

InChI:

InChI=1/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1749 kcal/mol

Physical Properties
Molecular Weight: 210.229 g/mol	logS: -1.84829	SlogP: 1.915	Reactive groups: 0

Topological Properties
Globularity: 0.0575227	Sterimol/B1: 2.33977	Sterimol/B2: 2.91806	Sterimol/B3: 3.3052
Sterimol/B4: 7.11549	Sterimol/L: 11.0642

Surface and Volume Properties
Accessible surface: 424.314	Positive charged surface: 333.77	Negative charged surface: 90.5436	Volume: 204
Hydrophobic surface: 363.033	Hydrophilic surface: 61.281

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.