MMsINC Database Search


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MMsINC code: MMs01711406

Type: Neutral
Formula: C₁₉H₂₀F₃NO₄

SMILES:

FC(F)(F)c1cc(NC(=O)COc2ccccc2OC)c(OCCC)cc1

InChI:

InChI=1/C19H20F3NO4/c1-3-10-26-15-9-8-13(19(20,21)22)11-14(15)23-18(24)12-27-17-7-5-4-6-16(17)25-2/h4-9,11H,3,10,12H2,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.676 kcal/mol

Physical Properties
Molecular Weight: 383.366 g/mol	logS: -5.11798	SlogP: 4.8318	Reactive groups: 0

Topological Properties
Globularity: 0.0246452	Sterimol/B1: 2.57194	Sterimol/B2: 2.78786	Sterimol/B3: 3.68354
Sterimol/B4: 10.0509	Sterimol/L: 17.2118

Surface and Volume Properties
Accessible surface: 665.884	Positive charged surface: 397.952	Negative charged surface: 267.933	Volume: 337.5
Hydrophobic surface: 481.741	Hydrophilic surface: 184.143

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.