MMsINC Database Search


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MMsINC code: MMs00048408

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1ccc(NC(=O)Cc2ccc(O)cc2)cc1

InChI:

InChI=1/C14H12FNO2/c15-11-3-5-12(6-4-11)16-14(18)9-10-1-7-13(17)8-2-10/h1-8,17H,9H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0326 kcal/mol

Physical Properties
Molecular Weight: 245.253 g/mol	logS: -3.34937	SlogP: 2.71247	Reactive groups: 0

Topological Properties
Globularity: 0.0763033	Sterimol/B1: 2.8104	Sterimol/B2: 3.10977	Sterimol/B3: 4.73154
Sterimol/B4: 5.05928	Sterimol/L: 15.1831

Surface and Volume Properties
Accessible surface: 468.165	Positive charged surface: 268.661	Negative charged surface: 199.504	Volume: 226.5
Hydrophobic surface: 378.452	Hydrophilic surface: 89.713

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.