MMsINC Database Search


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MMsINC code: MMs02862880

Type: Neutral
Formula: C₁₅H₂₁FO

SMILES:

FCCCCCCCCC(=O)c1ccccc1

InChI:

InChI=1/C15H21FO/c16-13-9-4-2-1-3-8-12-15(17)14-10-6-5-7-11-14/h5-7,10-11H,1-4,8-9,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.1482 kcal/mol

Physical Properties
Molecular Weight: 236.33 g/mol	logS: -4.04637	SlogP: 4.5695	Reactive groups: 1

Topological Properties
Globularity: 0.0151659	Sterimol/B1: 2.37417	Sterimol/B2: 2.37707	Sterimol/B3: 3.43122
Sterimol/B4: 4.43483	Sterimol/L: 18.9933

Surface and Volume Properties
Accessible surface: 523.589	Positive charged surface: 351.911	Negative charged surface: 171.677	Volume: 253.875
Hydrophobic surface: 453.782	Hydrophilic surface: 69.807

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.