MMsINC Database Search


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MMsINC code: MMs00628701

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccccc1OCC

InChI:

InChI=1/C16H16FNO2/c1-2-20-15-6-4-3-5-14(15)16(19)18-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4129 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -3.97148	SlogP: 3.4208	Reactive groups: 0

Topological Properties
Globularity: 0.0529468	Sterimol/B1: 1.969	Sterimol/B2: 3.61788	Sterimol/B3: 3.62165
Sterimol/B4: 7.99294	Sterimol/L: 16.1959

Surface and Volume Properties
Accessible surface: 532.259	Positive charged surface: 318.877	Negative charged surface: 213.382	Volume: 266.25
Hydrophobic surface: 467.307	Hydrophilic surface: 64.952

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.