MMsINC Database Search


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MMsINC code: MMs00606910

Type: Neutral
Formula: C₁₅H₁₁FO₄

SMILES:

Fc1ccccc1C(Oc1c(cccc1OC)C=O)=O

InChI:

InChI=1/C15H11FO4/c1-19-13-8-4-5-10(9-17)14(13)20-15(18)11-6-2-3-7-12(11)16/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4275 kcal/mol

Physical Properties
Molecular Weight: 274.247 g/mol	logS: -3.85041	SlogP: 2.866	Reactive groups: 1

Topological Properties
Globularity: 0.0958428	Sterimol/B1: 2.42296	Sterimol/B2: 3.60888	Sterimol/B3: 4.2289
Sterimol/B4: 8.78422	Sterimol/L: 14.1113

Surface and Volume Properties
Accessible surface: 490.325	Positive charged surface: 285.056	Negative charged surface: 205.268	Volume: 244.5
Hydrophobic surface: 403.406	Hydrophilic surface: 86.919

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.