MMsINC Database Search


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MMsINC code: MMs00477283

Type: Neutral
Formula: C₁₉H₁₉F₃N₂O₂

SMILES:

Fc1c(F)c(F)ccc1NC(=O)C(NC(=O)c1cc(ccc1)C)C(C)C

InChI:

InChI=1/C19H19F3N2O2/c1-10(2)17(24-18(25)12-6-4-5-11(3)9-12)19(26)23-14-8-7-13(20)15(21)16(14)22/h4-10,17H,1-3H3,(H,23,26)(H,24,25)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.264 kcal/mol

Physical Properties
Molecular Weight: 364.367 g/mol	logS: -5.61705	SlogP: 3.80542	Reactive groups: 0

Topological Properties
Globularity: 0.0687046	Sterimol/B1: 2.45568	Sterimol/B2: 4.37558	Sterimol/B3: 5.28501
Sterimol/B4: 5.88799	Sterimol/L: 17.9562

Surface and Volume Properties
Accessible surface: 600.42	Positive charged surface: 319.662	Negative charged surface: 280.757	Volume: 326.875
Hydrophobic surface: 513.039	Hydrophilic surface: 87.381

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.