MMsINC Database Search


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MMsINC code: MMs01699647

Type: Neutral
Formula: C₁₆H₁₂F₃NO₂

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)C

InChI:

InChI=1/C16H12F3NO2/c1-10(21)13-4-2-3-5-14(13)20-15(22)11-6-8-12(9-7-11)16(17,18)19/h2-9H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5113 kcal/mol

Physical Properties
Molecular Weight: 307.271 g/mol	logS: -4.72369	SlogP: 4.4718	Reactive groups: 0

Topological Properties
Globularity: 0.0291123	Sterimol/B1: 2.41201	Sterimol/B2: 2.45644	Sterimol/B3: 3.13679
Sterimol/B4: 7.61554	Sterimol/L: 15.1606

Surface and Volume Properties
Accessible surface: 506.201	Positive charged surface: 222.315	Negative charged surface: 283.886	Volume: 262.125
Hydrophobic surface: 343.026	Hydrophilic surface: 163.175

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.