MMsINC Database Search


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MMsINC code: MMs00539094

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccccc1C(=O)NC(CC(OCC)=O)c1ccc(cc1)C

InChI:

InChI=1/C19H20FNO3/c1-3-24-18(22)12-17(14-10-8-13(2)9-11-14)21-19(23)15-6-4-5-7-16(15)20/h4-11,17H,3,12H2,1-2H3,(H,21,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0227 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -4.68511	SlogP: 3.65392	Reactive groups: 1

Topological Properties
Globularity: 0.127176	Sterimol/B1: 2.48025	Sterimol/B2: 3.32455	Sterimol/B3: 4.35305
Sterimol/B4: 11.3581	Sterimol/L: 15.6233

Surface and Volume Properties
Accessible surface: 607.052	Positive charged surface: 364.773	Negative charged surface: 242.279	Volume: 319
Hydrophobic surface: 531.333	Hydrophilic surface: 75.719

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.