MMsINC Database Search


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MMsINC code: MMs02098658

Type: Neutral
Formula: C₁₉H₁₁F₃N₂O

SMILES:

FC(F)(F)c1cc(nc(Oc2ccccc2)c1C#N)-c1ccccc1

InChI:

InChI=1/C19H11F3N2O/c20-19(21,22)16-11-17(13-7-3-1-4-8-13)24-18(15(16)12-23)25-14-9-5-2-6-10-14/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.587 kcal/mol

Physical Properties
Molecular Weight: 340.304 g/mol	logS: -6.02337	SlogP: 5.74288	Reactive groups: 0

Topological Properties
Globularity: 0.0285743	Sterimol/B1: 2.46122	Sterimol/B2: 2.51678	Sterimol/B3: 2.90164
Sterimol/B4: 11.0402	Sterimol/L: 13.1778

Surface and Volume Properties
Accessible surface: 536.143	Positive charged surface: 211.919	Negative charged surface: 318.548	Volume: 294.375
Hydrophobic surface: 360.99	Hydrophilic surface: 175.153

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

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Ions/Tautomers related molecules: no related molecules available.