MMsINC Database Search


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MMsINC code: MMs01274097

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccc(cc1O)C

InChI:

InChI=1/C14H12FNO2/c1-9-5-6-12(13(17)7-9)16-14(18)10-3-2-4-11(15)8-10/h2-8,17H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9216 kcal/mol

Physical Properties
Molecular Weight: 245.253 g/mol	logS: -3.76182	SlogP: 3.09202	Reactive groups: 0

Topological Properties
Globularity: 0.0167935	Sterimol/B1: 2.49488	Sterimol/B2: 2.71054	Sterimol/B3: 3.34991
Sterimol/B4: 4.79128	Sterimol/L: 15.17

Surface and Volume Properties
Accessible surface: 464.507	Positive charged surface: 250.487	Negative charged surface: 214.02	Volume: 229.625
Hydrophobic surface: 383.799	Hydrophilic surface: 80.708

Pharmacophoric Properties
Hydrogen bond donors: 2	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.