MMsINC Database Search


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MMsINC code: MMs00733408

Type: Neutral
Formula: C₁₇H₁₈F₂O₂

SMILES:

Fc1ccc(OCCCCCOc2ccc(F)cc2)cc1

InChI:

InChI=1/C17H18F2O2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11H,1-3,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2168 kcal/mol

Physical Properties
Molecular Weight: 292.325 g/mol	logS: -4.47525	SlogP: 4.5929	Reactive groups: 0

Topological Properties
Globularity: 0.00799918	Sterimol/B1: 2.37471	Sterimol/B2: 2.37689	Sterimol/B3: 2.56406
Sterimol/B4: 5.33186	Sterimol/L: 20.0193

Surface and Volume Properties
Accessible surface: 568.569	Positive charged surface: 332.817	Negative charged surface: 235.752	Volume: 283
Hydrophobic surface: 555.976	Hydrophilic surface: 12.593

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.