MMsINC Database Search


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MMsINC code: MMs02154112

Type: Neutral
Formula: C₁₈H₁₀F₆N₂O₂

SMILES:

FC(F)(F)c1ccc(Oc2ccc(Oc3ncc(cc3)C(F)(F)F)cc2)nc1

InChI:

InChI=1/C18H10F6N2O2/c19-17(20,21)11-1-7-15(25-9-11)27-13-3-5-14(6-4-13)28-16-8-2-12(10-26-16)18(22,23)24/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4617 kcal/mol

Physical Properties
Molecular Weight: 400.278 g/mol	logS: -5.16964	SlogP: 6.7218	Reactive groups: 0

Topological Properties
Globularity: 0.0421984	Sterimol/B1: 3.01172	Sterimol/B2: 3.7706	Sterimol/B3: 4.78047
Sterimol/B4: 4.83302	Sterimol/L: 19.302

Surface and Volume Properties
Accessible surface: 609.089	Positive charged surface: 261.008	Negative charged surface: 348.081	Volume: 306.375
Hydrophobic surface: 385.517	Hydrophilic surface: 223.572

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

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Ions/Tautomers related molecules: no related molecules available.