MMsINC Database Search


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MMsINC code: MMs00715492

Type: Neutral
Formula: C₁₅H₁₇F₄NO₃

SMILES:

FC(F)(COC(=O)CCCC(=O)Nc1ccc(cc1)C)C(F)F

InChI:

InChI=1/C15H17F4NO3/c1-10-5-7-11(8-6-10)20-12(21)3-2-4-13(22)23-9-15(18,19)14(16)17/h5-8,14H,2-4,9H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.172 kcal/mol

Physical Properties
Molecular Weight: 335.297 g/mol	logS: -3.66612	SlogP: 4.38722	Reactive groups: 1

Topological Properties
Globularity: 0.0214281	Sterimol/B1: 2.60652	Sterimol/B2: 3.12567	Sterimol/B3: 3.34772
Sterimol/B4: 5.10018	Sterimol/L: 19.8624

Surface and Volume Properties
Accessible surface: 590.975	Positive charged surface: 316.952	Negative charged surface: 274.022	Volume: 283.25
Hydrophobic surface: 372.768	Hydrophilic surface: 218.207

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.