MMsINC Database Search


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MMsINC code: MMs00733422

Type: Neutral
Formula: C₁₅H₁₄F₂O₂

SMILES:

Fc1ccccc1OCCCOc1ccccc1F

InChI:

InChI=1/C15H14F2O2/c16-12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2716 kcal/mol

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

Topological Properties
Globularity: 0.0076877	Sterimol/B1: 2.37264	Sterimol/B2: 2.37914	Sterimol/B3: 2.56443
Sterimol/B4: 5.61287	Sterimol/L: 17.0185

Surface and Volume Properties
Accessible surface: 510.075	Positive charged surface: 281.011	Negative charged surface: 229.064	Volume: 247.875
Hydrophobic surface: 500.108	Hydrophilic surface: 9.967

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.