MMsINC Database Search


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MMsINC code: MMs01524980

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccccc1CC(=O)NCc1ccccc1OC

InChI:

InChI=1/C16H16FNO2/c1-20-15-9-5-3-7-13(15)11-18-16(19)10-12-6-2-4-8-14(12)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)=53.9468 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -3.70574	SlogP: 2.95957	Reactive groups: 0

Topological Properties
Globularity: 0.0378223	Sterimol/B1: 2.37957	Sterimol/B2: 3.0233	Sterimol/B3: 3.47533
Sterimol/B4: 7.27201	Sterimol/L: 16.2108

Surface and Volume Properties
Accessible surface: 532.39	Positive charged surface: 336.787	Negative charged surface: 195.603	Volume: 265.625
Hydrophobic surface: 485.458	Hydrophilic surface: 46.932

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.