MMsINC Database Search


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MMsINC code: MMs01385651

Type: Neutral
Formula: C₁₅H₁₃F₃N₂O₂

SMILES:

FC(F)(F)C=1N(C)C(=O)C(NC(=O)c2ccc(cc2)C)=CC=1

InChI:

InChI=1/C15H13F3N2O2/c1-9-3-5-10(6-4-9)13(21)19-11-7-8-12(15(16,17)18)20(2)14(11)22/h3-8H,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.237 kcal/mol

Physical Properties
Molecular Weight: 310.275 g/mol	logS: -4.44608	SlogP: 2.94682	Reactive groups: 0

Topological Properties
Globularity: 0.0393924	Sterimol/B1: 3.03151	Sterimol/B2: 3.38768	Sterimol/B3: 4.12579
Sterimol/B4: 4.14636	Sterimol/L: 16.1231

Surface and Volume Properties
Accessible surface: 513.127	Positive charged surface: 254.874	Negative charged surface: 258.253	Volume: 263.75
Hydrophobic surface: 354.588	Hydrophilic surface: 158.539

Pharmacophoric Properties
Hydrogen bond donors: 1	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.