MMsINC Database Search


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MMsINC code: MMs01236818

Type: Neutral
Formula: C₁₇H₁₄F₃NO₄

SMILES:

FC(F)(F)c1cc(NC(=O)COC(=O)c2ccccc2OC)ccc1

InChI:

InChI=1/C17H14F3NO4/c1-24-14-8-3-2-7-13(14)16(23)25-10-15(22)21-12-6-4-5-11(9-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.568 kcal/mol

Physical Properties
Molecular Weight: 353.296 g/mol	logS: -4.86997	SlogP: 3.821	Reactive groups: 0

Topological Properties
Globularity: 0.0172285	Sterimol/B1: 2.56354	Sterimol/B2: 2.80151	Sterimol/B3: 3.75694
Sterimol/B4: 7.07097	Sterimol/L: 18.1623

Surface and Volume Properties
Accessible surface: 596.069	Positive charged surface: 322.724	Negative charged surface: 273.344	Volume: 298.25
Hydrophobic surface: 407.866	Hydrophilic surface: 188.203

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.