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MMsINC code: MMs01456632

Type: Tautomer
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)CN(CC(=O)Nc1ccccc1C(OC)=O)C

InChI:

InChI=1/C18H19FN2O3/c1-21(11-13-7-9-14(19)10-8-13)12-17(22)20-16-6-4-3-5-15(16)18(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.003 kcal/mol

Physical Properties
Molecular Weight: 330.359 g/mol	logS: -3.92947	SlogP: 2.9492	Reactive groups: 0

Topological Properties
Globularity: 0.0486139	Sterimol/B1: 2.06918	Sterimol/B2: 4.30292	Sterimol/B3: 5.02113
Sterimol/B4: 6.11649	Sterimol/L: 18.0425

Surface and Volume Properties
Accessible surface: 591.49	Positive charged surface: 395.558	Negative charged surface: 195.932	Volume: 311.5
Hydrophobic surface: 526.366	Hydrophilic surface: 65.124

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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Parent related molecule:

MMs01456631
ENAMINE-ZINC03459957