MMsINC Database Search


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MMsINC code: MMs01623372

Type: Neutral
Formula: C₁₈H₁₂F₃NO

SMILES:

FC(F)(F)c1ccccc1C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C18H12F3NO/c19-18(20,21)15-10-4-3-9-14(15)17(23)22-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.92 kcal/mol

Physical Properties
Molecular Weight: 315.294 g/mol	logS: -6.2893	SlogP: 5.4224	Reactive groups: 0

Topological Properties
Globularity: 0.0293144	Sterimol/B1: 2.76566	Sterimol/B2: 3.19245	Sterimol/B3: 3.28927
Sterimol/B4: 6.70834	Sterimol/L: 14.5401

Surface and Volume Properties
Accessible surface: 504.081	Positive charged surface: 217.748	Negative charged surface: 275.976	Volume: 274
Hydrophobic surface: 396.793	Hydrophilic surface: 107.288

Pharmacophoric Properties
Hydrogen bond donors: 1	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.