MMsINC Database Search


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MMsINC code: MMs03140094

Type: Neutral
Formula: C₁₆H₁₉F₄NO₃

SMILES:

FC(F)(COC(=O)CCCC(=O)NCCc1ccccc1)C(F)F

InChI:

InChI=1/C16H19F4NO3/c17-15(18)16(19,20)11-24-14(23)8-4-7-13(22)21-10-9-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.6723 kcal/mol

Physical Properties
Molecular Weight: 349.324 g/mol	logS: -3.19771	SlogP: 3.79897	Reactive groups: 1

Topological Properties
Globularity: 0.0301322	Sterimol/B1: 2.84676	Sterimol/B2: 3.02996	Sterimol/B3: 3.86372
Sterimol/B4: 4.16441	Sterimol/L: 21.2876

Surface and Volume Properties
Accessible surface: 619.703	Positive charged surface: 339.974	Negative charged surface: 279.729	Volume: 303.625
Hydrophobic surface: 397.988	Hydrophilic surface: 221.715

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.