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MMsINC code: MMs01046778

Type: Neutral
Formula: C₁₆H₁₄ClFN₂O₂

SMILES:

Clc1cc2N(CCOc2cc1)C(=O)Nc1cc(F)c(cc1)C

InChI:

InChI=1/C16H14ClFN2O2/c1-10-2-4-12(9-13(10)18)19-16(21)20-6-7-22-15-5-3-11(17)8-14(15)20/h2-5,8-9H,6-7H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7275 kcal/mol

Physical Properties
Molecular Weight: 320.751 g/mol	logS: -4.53502	SlogP: 4.21842	Reactive groups: 0

Topological Properties
Globularity: 0.0242066	Sterimol/B1: 2.79539	Sterimol/B2: 3.11332	Sterimol/B3: 5.41547
Sterimol/B4: 5.72668	Sterimol/L: 15.6052

Surface and Volume Properties
Accessible surface: 529.824	Positive charged surface: 289.826	Negative charged surface: 239.998	Volume: 278.25
Hydrophobic surface: 493.917	Hydrophilic surface: 35.907

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.