MMsINC Database Search


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MMsINC code: MMs02318019

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

O1CCOC1(C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H14O3/c17-15(13-7-3-1-4-8-13)16(18-11-12-19-16)14-9-5-2-6-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.002 kcal/mol

Physical Properties
Molecular Weight: 254.285 g/mol	logS: -3.94777	SlogP: 3.0806	Reactive groups: 0

Topological Properties
Globularity: 0.278572	Sterimol/B1: 3.41551	Sterimol/B2: 4.33445	Sterimol/B3: 5.1466
Sterimol/B4: 5.68302	Sterimol/L: 11.428

Surface and Volume Properties
Accessible surface: 463.785	Positive charged surface: 284.493	Negative charged surface: 179.292	Volume: 247.25
Hydrophobic surface: 431.613	Hydrophilic surface: 32.172

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.