MMsINC Database Search


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MMsINC code: MMs00740026

Type: Neutral
Formula: C₁₇H₁₉FO₃

SMILES:

Fc1ccccc1OCCCCOc1ccc(OC)cc1

InChI:

InChI=1/C17H19FO3/c1-19-14-8-10-15(11-9-14)20-12-4-5-13-21-17-7-3-2-6-16(17)18/h2-3,6-11H,4-5,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1168 kcal/mol

Physical Properties
Molecular Weight: 290.334 g/mol	logS: -4.02888	SlogP: 4.0723	Reactive groups: 0

Topological Properties
Globularity: 0.00738685	Sterimol/B1: 2.37481	Sterimol/B2: 2.37899	Sterimol/B3: 2.97151
Sterimol/B4: 5.90123	Sterimol/L: 20.4831

Surface and Volume Properties
Accessible surface: 577.33	Positive charged surface: 380.284	Negative charged surface: 197.046	Volume: 287.375
Hydrophobic surface: 555.995	Hydrophilic surface: 21.335

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.