MMsINC Database Search


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MMsINC code: MMs01225267

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccccc1C(=O)NCCc1ccc(OC)cc1

InChI:

InChI=1/C16H16FNO2/c1-20-13-8-6-12(7-9-13)10-11-18-16(19)14-4-2-3-5-15(14)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)=62.094 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -3.70574	SlogP: 2.80677	Reactive groups: 0

Topological Properties
Globularity: 0.0438787	Sterimol/B1: 2.90434	Sterimol/B2: 3.39444	Sterimol/B3: 4.35528
Sterimol/B4: 4.45257	Sterimol/L: 18.5083

Surface and Volume Properties
Accessible surface: 532.838	Positive charged surface: 330.307	Negative charged surface: 202.531	Volume: 264.5
Hydrophobic surface: 481.508	Hydrophilic surface: 51.33

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.