MMsINC Database Search


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MMsINC code: MMs01590997

Type: Neutral
Formula: C₁₅H₁₁FO₂

SMILES:

Fc1cc(ccc1)\C=C\C(=O)c1ccc(O)cc1

InChI:

InChI=1/C15H11FO2/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(17)8-6-12/h1-10,17H/b9-4+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2021 kcal/mol

Physical Properties
Molecular Weight: 242.249 g/mol	logS: -3.89654	SlogP: 3.4274	Reactive groups: 1

Topological Properties
Globularity: 0.00154903	Sterimol/B1: 2.09723	Sterimol/B2: 2.2484	Sterimol/B3: 3.89825
Sterimol/B4: 4.8991	Sterimol/L: 15.2245

Surface and Volume Properties
Accessible surface: 465.755	Positive charged surface: 217.396	Negative charged surface: 248.359	Volume: 228
Hydrophobic surface: 379.817	Hydrophilic surface: 85.938

Pharmacophoric Properties
Hydrogen bond donors: 1	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.