MMsINC Database Search


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MMsINC code: MMs02646658

Type: Neutral
Formula: C₁₅H₁₄F₃NO₂

SMILES:

FC(F)(F)c1cc(NCc2cccc(OC)c2O)ccc1

InChI:

InChI=1/C15H14F3NO2/c1-21-13-7-2-4-10(14(13)20)9-19-12-6-3-5-11(8-12)15(16,17)18/h2-8,19-20H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9123 kcal/mol

Physical Properties
Molecular Weight: 297.276 g/mol	logS: -3.69422	SlogP: 4.6096	Reactive groups: 0

Topological Properties
Globularity: 0.0724353	Sterimol/B1: 2.92325	Sterimol/B2: 2.99235	Sterimol/B3: 4.36748
Sterimol/B4: 5.25893	Sterimol/L: 15.771

Surface and Volume Properties
Accessible surface: 514.88	Positive charged surface: 276.25	Negative charged surface: 238.63	Volume: 258.5
Hydrophobic surface: 349.886	Hydrophilic surface: 164.994

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.