MMsINC Database Search


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MMsINC code: MMs01366225

Type: Neutral
Formula: C₁₉H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)N2CCOCC2)cc1

InChI:

InChI=1/C19H18FNO4/c20-16-5-1-14(2-6-16)19(23)15-3-7-17(8-4-15)25-13-18(22)21-9-11-24-12-10-21/h1-8H,9-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.056 kcal/mol

Physical Properties
Molecular Weight: 343.354 g/mol	logS: -4.16111	SlogP: 2.2943	Reactive groups: 0

Topological Properties
Globularity: 0.0302595	Sterimol/B1: 2.16831	Sterimol/B2: 3.34276	Sterimol/B3: 4.43002
Sterimol/B4: 4.86353	Sterimol/L: 19.239

Surface and Volume Properties
Accessible surface: 586.559	Positive charged surface: 365.343	Negative charged surface: 221.216	Volume: 314
Hydrophobic surface: 494.373	Hydrophilic surface: 92.186

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.