MMsINC Database Search


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MMsINC code: MMs00910068

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccccc1C(=O)NCCOc1ccccc1C

InChI:

InChI=1/C16H16FNO2/c1-12-6-2-5-9-15(12)20-11-10-18-16(19)13-7-3-4-8-14(13)17/h2-9H,10-11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4438 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -3.83118	SlogP: 2.94292	Reactive groups: 0

Topological Properties
Globularity: 0.0791634	Sterimol/B1: 2.15639	Sterimol/B2: 2.28318	Sterimol/B3: 5.10745
Sterimol/B4: 6.45184	Sterimol/L: 15.9817

Surface and Volume Properties
Accessible surface: 528.122	Positive charged surface: 310.195	Negative charged surface: 217.927	Volume: 264.25
Hydrophobic surface: 489.209	Hydrophilic surface: 38.913

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.