MMsINC Database Search


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MMsINC code: MMs01626011

Type: Neutral
Formula: C₁₆H₁₁F₄N

SMILES:

FC(F)(C(F)(F)c1ccc(cc1)C)c1ccccc1C#N

InChI:

InChI=1/C16H11F4N/c1-11-6-8-13(9-7-11)15(17,18)16(19,20)14-5-3-2-4-12(14)10-21/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9135 kcal/mol

Physical Properties
Molecular Weight: 293.263 g/mol	logS: -5.35787	SlogP: 5.3735	Reactive groups: 0

Topological Properties
Globularity: 0.0734558	Sterimol/B1: 3.61604	Sterimol/B2: 3.62048	Sterimol/B3: 4.28036
Sterimol/B4: 5.25312	Sterimol/L: 15.2329

Surface and Volume Properties
Accessible surface: 483.793	Positive charged surface: 211.048	Negative charged surface: 272.745	Volume: 254.5
Hydrophobic surface: 348.506	Hydrophilic surface: 135.287

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.