MMsINC Database Search


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MMsINC code: MMs00630276

Type: Neutral
Formula: C₁₆H₁₆FNO₃

SMILES:

Fc1ccc(cc1)CNC(=O)c1cccc(OC)c1OC

InChI:

InChI=1/C16H16FNO3/c1-20-14-5-3-4-13(15(14)21-2)16(19)18-10-11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5371 kcal/mol

Physical Properties
Molecular Weight: 289.306 g/mol	logS: -3.69465	SlogP: 3.0393	Reactive groups: 0

Topological Properties
Globularity: 0.0532317	Sterimol/B1: 3.57462	Sterimol/B2: 3.86069	Sterimol/B3: 3.91621
Sterimol/B4: 6.03391	Sterimol/L: 16.9667

Surface and Volume Properties
Accessible surface: 535.523	Positive charged surface: 350.928	Negative charged surface: 184.595	Volume: 271.875
Hydrophobic surface: 489.278	Hydrophilic surface: 46.245

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.