MMsINC Database Search


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MMsINC code: MMs00748089

Type: Neutral
Formula: C₁₅H₁₅FO₃

SMILES:

Fc1ccc(OCCOc2ccc(OC)cc2)cc1

InChI:

InChI=1/C15H15FO3/c1-17-13-6-8-15(9-7-13)19-11-10-18-14-4-2-12(16)3-5-14/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6461 kcal/mol

Physical Properties
Molecular Weight: 262.28 g/mol	logS: -3.62534	SlogP: 3.2921	Reactive groups: 0

Topological Properties
Globularity: 0.0354221	Sterimol/B1: 2.5051	Sterimol/B2: 3.32522	Sterimol/B3: 3.7251
Sterimol/B4: 4.11964	Sterimol/L: 18.2982

Surface and Volume Properties
Accessible surface: 518.772	Positive charged surface: 327.919	Negative charged surface: 190.853	Volume: 249
Hydrophobic surface: 497.685	Hydrophilic surface: 21.087

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.