MMsINC Database Search


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MMsINC code: MMs01275288

Type: Neutral
Formula: C₁₄H₁₀F₃NO

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0838 kcal/mol

Physical Properties
Molecular Weight: 265.234 g/mol	logS: -4.41142	SlogP: 4.2692	Reactive groups: 0

Topological Properties
Globularity: 0.0190376	Sterimol/B1: 2.51216	Sterimol/B2: 2.68727	Sterimol/B3: 3.66101
Sterimol/B4: 3.87295	Sterimol/L: 15.3049

Surface and Volume Properties
Accessible surface: 454.052	Positive charged surface: 189.467	Negative charged surface: 264.585	Volume: 225.625
Hydrophobic surface: 312.676	Hydrophilic surface: 141.376

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.