MMsINC Database Search


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MMsINC code: MMs02263669

Type: Neutral
Formula: C₁₄H₁₄O₃

SMILES:

O(C)c1ccc(O)cc1C(O)c1ccccc1

InChI:

InChI=1/C14H14O3/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h2-9,14-16H,1H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6641 kcal/mol

Physical Properties
Molecular Weight: 230.263 g/mol	logS: -2.61223	SlogP: 2.578	Reactive groups: 0

Topological Properties
Globularity: 0.155956	Sterimol/B1: 2.38202	Sterimol/B2: 3.28923	Sterimol/B3: 3.84838
Sterimol/B4: 7.82248	Sterimol/L: 11.6675

Surface and Volume Properties
Accessible surface: 446.133	Positive charged surface: 278.967	Negative charged surface: 167.166	Volume: 226.125
Hydrophobic surface: 356.627	Hydrophilic surface: 89.506

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.