MMsINC Database Search


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MMsINC code: MMs00733557

Type: Neutral
Formula: C₁₅H₁₄F₂O₂

SMILES:

Fc1ccc(OCCCOc2ccc(F)cc2)cc1

InChI:

InChI=1/C15H14F2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.1022 kcal/mol

Physical Properties
Molecular Weight: 264.271 g/mol	logS: -4.07171	SlogP: 3.8127	Reactive groups: 0

Topological Properties
Globularity: 0.0076056	Sterimol/B1: 2.37466	Sterimol/B2: 2.3768	Sterimol/B3: 2.56427
Sterimol/B4: 5.33167	Sterimol/L: 17.5206

Surface and Volume Properties
Accessible surface: 507.278	Positive charged surface: 280.014	Negative charged surface: 227.264	Volume: 246.5
Hydrophobic surface: 494.685	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.