MMsINC Database Search


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MMsINC code: MMs01676255

Type: Neutral
Formula: C₁₉H₁₈F₂N₂O₆

SMILES:

FC(F)Oc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccccc1OC

InChI:

InChI=1/C19H18F2N2O6/c1-27-14-8-4-2-6-12(14)18(26)22-10-17(25)28-11-16(24)23-13-7-3-5-9-15(13)29-19(20)21/h2-9,19H,10-11H2,1H3,(H,22,26)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.829 kcal/mol

Physical Properties
Molecular Weight: 408.357 g/mol	logS: -4.12024	SlogP: 2.6282	Reactive groups: 1

Topological Properties
Globularity: 0.0120489	Sterimol/B1: 2.76181	Sterimol/B2: 2.92743	Sterimol/B3: 3.61762
Sterimol/B4: 7.08483	Sterimol/L: 20.5304

Surface and Volume Properties
Accessible surface: 682.953	Positive charged surface: 418.719	Negative charged surface: 264.235	Volume: 347.875
Hydrophobic surface: 464.569	Hydrophilic surface: 218.384

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.