MMsINC Database Search


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MMsINC code: MMs01072467

Type: Neutral
Formula: C₁₄H₁₀F₃NO₂

SMILES:

FC(F)(F)C(=O)Nc1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C14H10F3NO2/c15-14(16,17)13(19)18-10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.18 kcal/mol

Physical Properties
Molecular Weight: 281.233 g/mol	logS: -4.45267	SlogP: 4.3996	Reactive groups: 0

Topological Properties
Globularity: 0.0612812	Sterimol/B1: 2.47916	Sterimol/B2: 2.6916	Sterimol/B3: 3.91199
Sterimol/B4: 5.21952	Sterimol/L: 15.5459

Surface and Volume Properties
Accessible surface: 474.277	Positive charged surface: 205.261	Negative charged surface: 269.016	Volume: 235
Hydrophobic surface: 319.468	Hydrophilic surface: 154.809

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.