MMsINC Database Search


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MMsINC code: MMs00733447

Type: Neutral
Formula: C₁₈H₂₀F₂O₂

SMILES:

Fc1ccc(OCCCCCCOc2ccc(F)cc2)cc1

InChI:

InChI=1/C18H20F2O2/c19-15-5-9-17(10-6-15)21-13-3-1-2-4-14-22-18-11-7-16(20)8-12-18/h5-12H,1-4,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.4196 kcal/mol

Physical Properties
Molecular Weight: 306.352 g/mol	logS: -4.67702	SlogP: 4.983	Reactive groups: 0

Topological Properties
Globularity: 0.00767515	Sterimol/B1: 2.37472	Sterimol/B2: 2.37693	Sterimol/B3: 2.54867
Sterimol/B4: 5.30576	Sterimol/L: 21.6832

Surface and Volume Properties
Accessible surface: 597.979	Positive charged surface: 359.654	Negative charged surface: 238.325	Volume: 300
Hydrophobic surface: 585.209	Hydrophilic surface: 12.77

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.