MMsINC Database Search


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MMsINC code: MMs01581461

Type: Neutral
Formula: C₁₈H₁₈F₂N₂O₃

SMILES:

FC(F)Oc1ccccc1C(=O)NCC(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C18H18F2N2O3/c1-12-6-8-13(9-7-12)10-21-16(23)11-22-17(24)14-4-2-3-5-15(14)25-18(19)20/h2-9,18H,10-11H2,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6484 kcal/mol

Physical Properties
Molecular Weight: 348.349 g/mol	logS: -4.07965	SlogP: 3.32892	Reactive groups: 0

Topological Properties
Globularity: 0.0256816	Sterimol/B1: 3.61562	Sterimol/B2: 3.62153	Sterimol/B3: 4.04314
Sterimol/B4: 5.92538	Sterimol/L: 19.5758

Surface and Volume Properties
Accessible surface: 621.736	Positive charged surface: 354.843	Negative charged surface: 266.893	Volume: 316
Hydrophobic surface: 444.487	Hydrophilic surface: 177.249

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.