MMsINC Database Search


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MMsINC code: MMs00733572

Type: Neutral
Formula: C₁₇H₁₈F₂O₂

SMILES:

Fc1ccccc1OCCCCCOc1ccccc1F

InChI:

InChI=1/C17H18F2O2/c18-14-8-2-4-10-16(14)20-12-6-1-7-13-21-17-11-5-3-9-15(17)19/h2-5,8-11H,1,6-7,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2993 kcal/mol

Physical Properties
Molecular Weight: 292.325 g/mol	logS: -4.47525	SlogP: 4.5929	Reactive groups: 0

Topological Properties
Globularity: 0.00806312	Sterimol/B1: 2.37268	Sterimol/B2: 2.37902	Sterimol/B3: 2.56449
Sterimol/B4: 5.61289	Sterimol/L: 19.5165

Surface and Volume Properties
Accessible surface: 570.642	Positive charged surface: 334.314	Negative charged surface: 236.327	Volume: 279.5
Hydrophobic surface: 560.461	Hydrophilic surface: 10.181

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.