MMsINC Database Search


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MMsINC code: MMs03368160

Type: Neutral
Formula: C₁₉H₁₁F₆NO₂

SMILES:

FC(F)(F)c1cc(Oc2nc(Oc3cc(ccc3)C(F)(F)F)ccc2)ccc1

InChI:

InChI=1/C19H11F6NO2/c20-18(21,22)12-4-1-6-14(10-12)27-16-8-3-9-17(26-16)28-15-7-2-5-13(11-15)19(23,24)25/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.328 kcal/mol

Physical Properties
Molecular Weight: 399.29 g/mol	logS: -6.42778	SlogP: 7.3268	Reactive groups: 0

Topological Properties
Globularity: 0.120946	Sterimol/B1: 2.36902	Sterimol/B2: 3.93599	Sterimol/B3: 5.79765
Sterimol/B4: 7.99601	Sterimol/L: 15.3104

Surface and Volume Properties
Accessible surface: 594.647	Positive charged surface: 210.984	Negative charged surface: 383.664	Volume: 308.875
Hydrophobic surface: 378.469	Hydrophilic surface: 216.178

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.