MMsINC Database Search


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MMsINC code: MMs01418107

Type: Neutral
Formula: C₁₉H₁₉FN₂O₆

SMILES:

Fc1ccc(NC(=O)CNC(=O)COC(=O)c2c(OC)cccc2OC)cc1

InChI:

InChI=1/C19H19FN2O6/c1-26-14-4-3-5-15(27-2)18(14)19(25)28-11-17(24)21-10-16(23)22-13-8-6-12(20)7-9-13/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.786 kcal/mol

Physical Properties
Molecular Weight: 390.367 g/mol	logS: -4.33135	SlogP: 1.7546	Reactive groups: 0

Topological Properties
Globularity: 0.0336265	Sterimol/B1: 2.31768	Sterimol/B2: 3.50401	Sterimol/B3: 3.89537
Sterimol/B4: 9.52511	Sterimol/L: 21.1319

Surface and Volume Properties
Accessible surface: 691.778	Positive charged surface: 457.516	Negative charged surface: 234.262	Volume: 346.125
Hydrophobic surface: 547.991	Hydrophilic surface: 143.787

Pharmacophoric Properties
Hydrogen bond donors: 2	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.