MMsINC Database Search


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MMsINC code: MMs01544724

Type: Neutral
Formula: C₁₉H₁₅F₃N₂O₄

SMILES:

Fc1ccccc1C(=O)CN1C(=O)C(NC1=O)(C)c1ccc(OC(F)F)cc1

InChI:

InChI=1/C19H15F3N2O4/c1-19(11-6-8-12(9-7-11)28-17(21)22)16(26)24(18(27)23-19)10-15(25)13-4-2-3-5-14(13)20/h2-9,17H,10H2,1H3,(H,23,27)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9678 kcal/mol

Physical Properties
Molecular Weight: 392.333 g/mol	logS: -4.65808	SlogP: 3.8084	Reactive groups: 0

Topological Properties
Globularity: 0.0602659	Sterimol/B1: 2.21063	Sterimol/B2: 2.42443	Sterimol/B3: 5.46671
Sterimol/B4: 7.24755	Sterimol/L: 18.3292

Surface and Volume Properties
Accessible surface: 592.957	Positive charged surface: 289.824	Negative charged surface: 303.133	Volume: 324.375
Hydrophobic surface: 383.278	Hydrophilic surface: 209.679

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.