MMsINC Database Search


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MMsINC code: MMs00116909

Type: Neutral
Formula: C₁₄H₁₀F₃NO

SMILES:

FC(F)(F)C(=O)N(c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H10F3NO/c15-14(16,17)13(19)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.505 kcal/mol

Physical Properties
Molecular Weight: 265.234 g/mol	logS: -4.38783	SlogP: 4.3335	Reactive groups: 0

Topological Properties
Globularity: 0.126151	Sterimol/B1: 2.9075	Sterimol/B2: 3.46242	Sterimol/B3: 3.6302
Sterimol/B4: 7.15892	Sterimol/L: 12.0415

Surface and Volume Properties
Accessible surface: 432.644	Positive charged surface: 196.425	Negative charged surface: 236.219	Volume: 224.875
Hydrophobic surface: 320.987	Hydrophilic surface: 111.657

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.