MMsINC Database Search


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MMsINC code: MMs00278595

Type: Neutral
Formula: C₁₅H₁₁FO₃

SMILES:

Fc1cc(ccc1)C(Oc1ccccc1C(=O)C)=O

InChI:

InChI=1/C15H11FO3/c1-10(17)13-7-2-3-8-14(13)19-15(18)11-5-4-6-12(16)9-11/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3289 kcal/mol

Physical Properties
Molecular Weight: 258.248 g/mol	logS: -4.10619	SlogP: 3.2475	Reactive groups: 0

Topological Properties
Globularity: 0.0962925	Sterimol/B1: 2.27347	Sterimol/B2: 3.7419	Sterimol/B3: 4.03769
Sterimol/B4: 7.5663	Sterimol/L: 14.0759

Surface and Volume Properties
Accessible surface: 468.352	Positive charged surface: 239.884	Negative charged surface: 228.468	Volume: 234.875
Hydrophobic surface: 418.285	Hydrophilic surface: 50.067

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.