MMsINC Database Search


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MMsINC code: MMs00788198

Type: Neutral
Formula: C₁₄H₁₅F₆NO

SMILES:

FC(F)(F)c1cc(cc(NC(=O)CC(C)(C)C)c1)C(F)(F)F

InChI:

InChI=1/C14H15F6NO/c1-12(2,3)7-11(22)21-10-5-8(13(15,16)17)4-9(6-10)14(18,19)20/h4-6H,7H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7599 kcal/mol

Physical Properties
Molecular Weight: 327.268 g/mol	logS: -5.45486	SlogP: 5.7219	Reactive groups: 0

Topological Properties
Globularity: 0.0690216	Sterimol/B1: 1.969	Sterimol/B2: 4.62559	Sterimol/B3: 4.73174
Sterimol/B4: 4.89047	Sterimol/L: 14.2919

Surface and Volume Properties
Accessible surface: 513.557	Positive charged surface: 212.804	Negative charged surface: 300.753	Volume: 259
Hydrophobic surface: 226.137	Hydrophilic surface: 287.42

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.