MMsINC Database Search


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MMsINC code: MMs00283413

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(CCO)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C15H14O3/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9,16H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.764 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.30553	SlogP: 2.2887	Reactive groups: 0

Topological Properties
Globularity: 0.0289382	Sterimol/B1: 2.59398	Sterimol/B2: 2.81538	Sterimol/B3: 2.8451
Sterimol/B4: 6.43202	Sterimol/L: 15.7465

Surface and Volume Properties
Accessible surface: 480.43	Positive charged surface: 296.176	Negative charged surface: 184.255	Volume: 238.25
Hydrophobic surface: 386.077	Hydrophilic surface: 94.353

Pharmacophoric Properties
Hydrogen bond donors: 1	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.