MMsINC Database Search


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MMsINC code: MMs01290052

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccccc1

InChI:

InChI=1/C14H12FNO/c15-13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3551 kcal/mol

Physical Properties
Molecular Weight: 229.254 g/mol	logS: -3.59389	SlogP: 3.0221	Reactive groups: 0

Topological Properties
Globularity: 0.0730567	Sterimol/B1: 3.14637	Sterimol/B2: 3.61931	Sterimol/B3: 3.61992
Sterimol/B4: 5.40011	Sterimol/L: 14.5682

Surface and Volume Properties
Accessible surface: 458.023	Positive charged surface: 237.013	Negative charged surface: 221.01	Volume: 225
Hydrophobic surface: 411.559	Hydrophilic surface: 46.464

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.