MMsINC Database Search


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MMsINC code: MMs01544577

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₃

SMILES:

Fc1ccc(cc1)C1(NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O)CC

InChI:

InChI=1/C19H16F2N2O3/c1-2-19(13-5-9-15(21)10-6-13)17(25)23(18(26)22-19)11-16(24)12-3-7-14(20)8-4-12/h3-10H,2,11H2,1H3,(H,22,26)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1317 kcal/mol

Physical Properties
Molecular Weight: 358.344 g/mol	logS: -5.02058	SlogP: 3.3163	Reactive groups: 0

Topological Properties
Globularity: 0.0730515	Sterimol/B1: 2.51995	Sterimol/B2: 3.89521	Sterimol/B3: 4.34559
Sterimol/B4: 7.3294	Sterimol/L: 17.3343

Surface and Volume Properties
Accessible surface: 571.623	Positive charged surface: 281.665	Negative charged surface: 289.958	Volume: 314.125
Hydrophobic surface: 452.936	Hydrophilic surface: 118.687

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.