MMsINC Database Search


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MMsINC code: MMs01586278

Type: Neutral
Formula: C₁₆H₁₅FO₅

SMILES:

Fc1ccc(OCCCOC(=O)c2ccc(O)cc2O)cc1

InChI:

InChI=1/C16H15FO5/c17-11-2-5-13(6-3-11)21-8-1-9-22-16(20)14-7-4-12(18)10-15(14)19/h2-7,10,18-19H,1,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8715 kcal/mol

Physical Properties
Molecular Weight: 306.289 g/mol	logS: -3.38418	SlogP: 2.8628	Reactive groups: 0

Topological Properties
Globularity: 0.0066687	Sterimol/B1: 2.3724	Sterimol/B2: 2.50184	Sterimol/B3: 2.67504
Sterimol/B4: 5.74426	Sterimol/L: 19.5418

Surface and Volume Properties
Accessible surface: 561.782	Positive charged surface: 339.406	Negative charged surface: 222.376	Volume: 275.125
Hydrophobic surface: 430.108	Hydrophilic surface: 131.674

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.