MMsINC Database Search


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MMsINC code: MMs01121481

Type: Neutral
Formula: C₂₀H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CN(Cc1oc(cc1)C)C(=O)Nc1ccccc1

InChI:

InChI=1/C20H19FN2O2/c1-15-7-12-19(25-15)14-23(13-16-8-10-17(21)11-9-16)20(24)22-18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7201 kcal/mol

Physical Properties
Molecular Weight: 338.382 g/mol	logS: -5.21794	SlogP: 5.49422	Reactive groups: 0

Topological Properties
Globularity: 0.138713	Sterimol/B1: 2.12833	Sterimol/B2: 3.16574	Sterimol/B3: 4.47454
Sterimol/B4: 12.1736	Sterimol/L: 14.366

Surface and Volume Properties
Accessible surface: 607.005	Positive charged surface: 333.718	Negative charged surface: 273.287	Volume: 327.625
Hydrophobic surface: 570.117	Hydrophilic surface: 36.888

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.