MMsINC Database Search


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MMsINC code: MMs02704733

Type: Neutral
Formula: C₁₃H₁₀F₂O

SMILES:

Fc1ccc(cc1)COc1ccc(F)cc1

InChI:

InChI=1/C13H10F2O/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.6491 kcal/mol

Physical Properties
Molecular Weight: 220.218 g/mol	logS: -3.79312	SlogP: 3.8102	Reactive groups: 0

Topological Properties
Globularity: 0.0876666	Sterimol/B1: 2.41999	Sterimol/B2: 3.41606	Sterimol/B3: 4.07988
Sterimol/B4: 4.82017	Sterimol/L: 14.677

Surface and Volume Properties
Accessible surface: 425.021	Positive charged surface: 207.81	Negative charged surface: 217.211	Volume: 203.875
Hydrophobic surface: 416.673	Hydrophilic surface: 8.348

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.