MMsINC Database Search


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MMsINC code: MMs03542439

Type: Neutral
Formula: C₁₀H₈F₅NO

SMILES:

FC(F)(C(=O)NCc1ccccc1)C(F)(F)F

InChI:

InChI=1/C10H8F5NO/c11-9(12,10(13,14)15)8(17)16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4754 kcal/mol

Physical Properties
Molecular Weight: 253.17 g/mol	logS: -3.31734	SlogP: 3.6066	Reactive groups: 1

Topological Properties
Globularity: 0.0845986	Sterimol/B1: 2.71718	Sterimol/B2: 3.60199	Sterimol/B3: 3.78591
Sterimol/B4: 3.83713	Sterimol/L: 13.5027

Surface and Volume Properties
Accessible surface: 420.373	Positive charged surface: 152.308	Negative charged surface: 268.065	Volume: 191.625
Hydrophobic surface: 218.628	Hydrophilic surface: 201.745

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.