MMsINC Database Search


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MMsINC code: MMs03321985

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O1CCOc2c1cc(cc2)C(O)c1ccccc1

InChI:

InChI=1/C15H14O3/c16-15(11-4-2-1-3-5-11)12-6-7-13-14(10-12)18-9-8-17-13/h1-7,10,15-16H,8-9H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5169 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.1734	SlogP: 2.635	Reactive groups: 0

Topological Properties
Globularity: 0.129407	Sterimol/B1: 2.19407	Sterimol/B2: 3.44608	Sterimol/B3: 5.0828
Sterimol/B4: 5.12157	Sterimol/L: 13.4315

Surface and Volume Properties
Accessible surface: 455.717	Positive charged surface: 285.498	Negative charged surface: 170.219	Volume: 234.625
Hydrophobic surface: 398.006	Hydrophilic surface: 57.711

Pharmacophoric Properties
Hydrogen bond donors: 1	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.