MMsINC Database Search


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MMsINC code: MMs00752335

Type: Neutral
Formula: C₁₆H₁₆F₂O₂

SMILES:

Fc1ccc(OCCCCOc2ccc(F)cc2)cc1

InChI:

InChI=1/C16H16F2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,1-2,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2556 kcal/mol

Physical Properties
Molecular Weight: 278.298 g/mol	logS: -4.27348	SlogP: 4.2028	Reactive groups: 0

Topological Properties
Globularity: 0.00777466	Sterimol/B1: 2.37459	Sterimol/B2: 2.37701	Sterimol/B3: 2.54145
Sterimol/B4: 5.33548	Sterimol/L: 19.2736

Surface and Volume Properties
Accessible surface: 536.688	Positive charged surface: 306.851	Negative charged surface: 229.837	Volume: 261.75
Hydrophobic surface: 523.918	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.