MMsINC Database Search


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MMsINC code: MMs01373213

Type: Neutral
Formula: C₁₈H₁₉FN₂O₅

SMILES:

Fc1ccc(NC(=O)COC(=O)C(NC(=O)c2occc2)C(C)C)cc1

InChI:

InChI=1/C18H19FN2O5/c1-11(2)16(21-17(23)14-4-3-9-25-14)18(24)26-10-15(22)20-13-7-5-12(19)6-8-13/h3-9,11,16H,10H2,1-2H3,(H,20,22)(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5215 kcal/mol

Physical Properties
Molecular Weight: 362.357 g/mol	logS: -4.71291	SlogP: 2.355	Reactive groups: 0

Topological Properties
Globularity: 0.0455625	Sterimol/B1: 2.2325	Sterimol/B2: 3.93408	Sterimol/B3: 5.22079
Sterimol/B4: 5.32191	Sterimol/L: 20.7247

Surface and Volume Properties
Accessible surface: 633.484	Positive charged surface: 350.365	Negative charged surface: 283.119	Volume: 325.25
Hydrophobic surface: 483.648	Hydrophilic surface: 149.836

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.