MMsINC Database Search


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MMsINC code: MMs00596036

Type: Neutral
Formula: C₁₅H₁₂FNO₂

SMILES:

Fc1ccccc1C(=O)NCC(=O)c1ccccc1

InChI:

InChI=1/C15H12FNO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1486 kcal/mol

Physical Properties
Molecular Weight: 257.264 g/mol	logS: -3.92524	SlogP: 2.4384	Reactive groups: 0

Topological Properties
Globularity: 0.00301486	Sterimol/B1: 2.37472	Sterimol/B2: 2.37537	Sterimol/B3: 3.89573
Sterimol/B4: 4.22812	Sterimol/L: 16.5727

Surface and Volume Properties
Accessible surface: 483.889	Positive charged surface: 247.364	Negative charged surface: 236.525	Volume: 241.5
Hydrophobic surface: 406.661	Hydrophilic surface: 77.228

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.