MMsINC Database Search


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MMsINC code: MMs00745637

Type: Neutral
Formula: C₁₈H₂₁FO₄

SMILES:

Fc1ccccc1OCCOCCOc1ccc(cc1OC)C

InChI:

InChI=1/C18H21FO4/c1-14-7-8-17(18(13-14)20-2)23-12-10-21-9-11-22-16-6-4-3-5-15(16)19/h3-8,13H,9-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.865 kcal/mol

Physical Properties
Molecular Weight: 320.36 g/mol	logS: -4.2419	SlogP: 3.61712	Reactive groups: 0

Topological Properties
Globularity: 0.131929	Sterimol/B1: 2.97716	Sterimol/B2: 3.2521	Sterimol/B3: 6.48641
Sterimol/B4: 6.48934	Sterimol/L: 17.0193

Surface and Volume Properties
Accessible surface: 628.959	Positive charged surface: 436.915	Negative charged surface: 192.044	Volume: 312.375
Hydrophobic surface: 609.414	Hydrophilic surface: 19.545

Pharmacophoric Properties
Hydrogen bond donors: 0	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.