MMsINC Database Search


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MMsINC code: MMs01584799

Type: Neutral
Formula: C₂₀H₁₄F₃NO₄

SMILES:

FC(F)(F)c1ccccc1NC(=O)COC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C20H14F3NO4/c21-20(22,23)15-7-3-4-8-16(15)24-18(26)11-28-19(27)14-9-12-5-1-2-6-13(12)10-17(14)25/h1-10,25H,11H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.537 kcal/mol

Physical Properties
Molecular Weight: 389.329 g/mol	logS: -6.33552	SlogP: 4.6712	Reactive groups: 0

Topological Properties
Globularity: 0.0140475	Sterimol/B1: 2.54777	Sterimol/B2: 3.01928	Sterimol/B3: 3.17116
Sterimol/B4: 7.73761	Sterimol/L: 18.3678

Surface and Volume Properties
Accessible surface: 619.556	Positive charged surface: 289.287	Negative charged surface: 319.198	Volume: 327.375
Hydrophobic surface: 419.306	Hydrophilic surface: 200.25

Pharmacophoric Properties
Hydrogen bond donors: 2	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.