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MMsINC code: MMs01458917

Type: Neutral
Formula: C₁₄H₁₄F₂N₂O₄

SMILES:

FC(F)Oc1ccc(cc1)C1(NC(=O)N(CC(=O)C)C1=O)C

InChI:

InChI=1/C14H14F2N2O4/c1-8(19)7-18-11(20)14(2,17-13(18)21)9-3-5-10(6-4-9)22-12(15)16/h3-6,12H,7H2,1-2H3,(H,17,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9292 kcal/mol

Physical Properties
Molecular Weight: 312.272 g/mol	logS: -2.60256	SlogP: 2.3754	Reactive groups: 1

Topological Properties
Globularity: 0.091379	Sterimol/B1: 2.79562	Sterimol/B2: 3.87614	Sterimol/B3: 4.00266
Sterimol/B4: 5.73502	Sterimol/L: 15.7273

Surface and Volume Properties
Accessible surface: 509.039	Positive charged surface: 271.61	Negative charged surface: 237.429	Volume: 261.25
Hydrophobic surface: 284.333	Hydrophilic surface: 224.706

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.