MMsINC Database Search


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MMsINC code: MMs01325442

Type: Neutral
Formula: C₁₉H₂₀F₂N₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NC(CCNC(=O)c1ccc(F)cc1)CC

InChI:

InChI=1/C19H20F2N2O2/c1-2-17(23-19(25)14-5-9-16(21)10-6-14)11-12-22-18(24)13-3-7-15(20)8-4-13/h3-10,17H,2,11-12H2,1H3,(H,22,24)(H,23,25)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.497 kcal/mol

Physical Properties
Molecular Weight: 346.377 g/mol	logS: -4.79219	SlogP: 3.2933	Reactive groups: 0

Topological Properties
Globularity: 0.0552228	Sterimol/B1: 2.34716	Sterimol/B2: 3.30763	Sterimol/B3: 3.63164
Sterimol/B4: 9.11839	Sterimol/L: 17.9574

Surface and Volume Properties
Accessible surface: 613.293	Positive charged surface: 339.831	Negative charged surface: 273.462	Volume: 324.75
Hydrophobic surface: 529.463	Hydrophilic surface: 83.83

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