MMsINC Database Search


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MMsINC code: MMs02641475

Type: Neutral
Formula: C₁₈H₁₉FN₂O₄

SMILES:

Fc1ccc(OCC(=O)N\N=C\c2cc(OC)ccc2OCC)cc1

InChI:

InChI=1/C18H19FN2O4/c1-3-24-17-9-8-16(23-2)10-13(17)11-20-21-18(22)12-25-15-6-4-14(19)5-7-15/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.347 kcal/mol

Physical Properties
Molecular Weight: 346.358 g/mol	logS: -4.33792	SlogP: 2.7621	Reactive groups: 0

Topological Properties
Globularity: 0.00553959	Sterimol/B1: 2.37725	Sterimol/B2: 2.38331	Sterimol/B3: 2.54746
Sterimol/B4: 7.90185	Sterimol/L: 20.8599

Surface and Volume Properties
Accessible surface: 627.238	Positive charged surface: 424.458	Negative charged surface: 202.78	Volume: 324.5
Hydrophobic surface: 521.355	Hydrophilic surface: 105.883

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.