MMsINC Database Search


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MMsINC code: MMs02376648

Type: Neutral
Formula: C₁₅H₁₇F₆NO₂

SMILES:

FC(F)(F)C(O)(C(F)(F)F)c1cc(ccc1NC(=O)C(C)(C)C)C

InChI:

InChI=1/C15H17F6NO2/c1-8-5-6-10(22-11(23)12(2,3)4)9(7-8)13(24,14(16,17)18)15(19,20)21/h5-7,24H,1-4H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.769 kcal/mol

Physical Properties
Molecular Weight: 357.294 g/mol	logS: -4.61056	SlogP: 5.44312	Reactive groups: 0

Topological Properties
Globularity: 0.110294	Sterimol/B1: 2.89186	Sterimol/B2: 3.57234	Sterimol/B3: 3.59227
Sterimol/B4: 7.46607	Sterimol/L: 13.3329

Surface and Volume Properties
Accessible surface: 504.967	Positive charged surface: 240.822	Negative charged surface: 264.145	Volume: 282.25
Hydrophobic surface: 276.073	Hydrophilic surface: 228.894

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.