MMsINC Database Search


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MMsINC code: MMs02217206

Type: Neutral
Formula: C₁₅H₉FO₂

SMILES:

Fc1ccccc1C=1Oc2c(cccc2)C(=O)C=1

InChI:

InChI=1/C15H9FO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8421 kcal/mol

Physical Properties
Molecular Weight: 240.233 g/mol	logS: -4.84347	SlogP: 3.4419	Reactive groups: 1

Topological Properties
Globularity: 0.038977	Sterimol/B1: 2.75408	Sterimol/B2: 2.96851	Sterimol/B3: 3.86423
Sterimol/B4: 4.85607	Sterimol/L: 14.2245

Surface and Volume Properties
Accessible surface: 440.216	Positive charged surface: 221.26	Negative charged surface: 218.956	Volume: 217.5
Hydrophobic surface: 398.78	Hydrophilic surface: 41.436

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.