MMsINC Database Search


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MMsINC code: MMs00986405

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1ccccc1NC(=O)COC1=CC(=O)N(c2c1cccc2)CC

InChI:

InChI=1/C19H17FN2O3/c1-2-22-16-10-6-3-7-13(16)17(11-19(22)24)25-12-18(23)21-15-9-5-4-8-14(15)20/h3-11H,2,12H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.371 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.81423	SlogP: 3.1884	Reactive groups: 0

Topological Properties
Globularity: 0.0189329	Sterimol/B1: 2.14289	Sterimol/B2: 3.03559	Sterimol/B3: 3.68313
Sterimol/B4: 7.31461	Sterimol/L: 18.1711

Surface and Volume Properties
Accessible surface: 586.418	Positive charged surface: 338.81	Negative charged surface: 247.608	Volume: 314
Hydrophobic surface: 481.55	Hydrophilic surface: 104.868

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.