MMsINC Database Search


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MMsINC code: MMs01228898

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C14H12FNO/c1-10-5-7-13(8-6-10)16-14(17)11-3-2-4-12(15)9-11/h2-9H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8776 kcal/mol

Physical Properties
Molecular Weight: 229.254 g/mol	logS: -4.12377	SlogP: 3.38642	Reactive groups: 0

Topological Properties
Globularity: 0.0167193	Sterimol/B1: 2.51433	Sterimol/B2: 2.52778	Sterimol/B3: 3.47237
Sterimol/B4: 4.15144	Sterimol/L: 15.1664

Surface and Volume Properties
Accessible surface: 452.661	Positive charged surface: 237.609	Negative charged surface: 215.051	Volume: 219.875
Hydrophobic surface: 414.755	Hydrophilic surface: 37.906

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.