MMsINC Database Search


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MMsINC code: MMs02862323

Type: Neutral
Formula: C₁₆H₁₅FO₂

SMILES:

FCCOC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H15FO2/c17-11-12-19-16(18)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8617 kcal/mol

Physical Properties
Molecular Weight: 258.292 g/mol	logS: -3.79423	SlogP: 3.3312	Reactive groups: 1

Topological Properties
Globularity: 0.226433	Sterimol/B1: 3.26207	Sterimol/B2: 3.52239	Sterimol/B3: 4.27699
Sterimol/B4: 7.48696	Sterimol/L: 13.2174

Surface and Volume Properties
Accessible surface: 498.24	Positive charged surface: 295.426	Negative charged surface: 202.815	Volume: 252.625
Hydrophobic surface: 438.846	Hydrophilic surface: 59.394

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.