MMsINC Database Search


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MMsINC code: MMs03888757

Type: Neutral
Formula: C₁₅H₁₁F₃N₂O₂

SMILES:

FC(F)(F)c1cc(ccc1)C(=O)Nc1ccccc1C(=O)N

InChI:

InChI=1/C15H11F3N2O2/c16-15(17,18)10-5-3-4-9(8-10)14(22)20-12-7-2-1-6-11(12)13(19)21/h1-8H,(H2,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5267 kcal/mol

Physical Properties
Molecular Weight: 308.259 g/mol	logS: -4.66354	SlogP: 3.3681	Reactive groups: 0

Topological Properties
Globularity: 0.0188433	Sterimol/B1: 2.5497	Sterimol/B2: 3.30405	Sterimol/B3: 3.37249
Sterimol/B4: 6.4359	Sterimol/L: 14.9122

Surface and Volume Properties
Accessible surface: 494.847	Positive charged surface: 220.107	Negative charged surface: 274.74	Volume: 255.875
Hydrophobic surface: 269.625	Hydrophilic surface: 225.222

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