MMsINC Database Search


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MMsINC code: MMs00114563

Type: Neutral
Formula: C₁₅H₂₀FNO

SMILES:

Fc1ccc(cc1)CCNC(=O)C1CCCCC1

InChI:

InChI=1/C15H20FNO/c16-14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.7754 kcal/mol

Physical Properties
Molecular Weight: 249.329 g/mol	logS: -3.74198	SlogP: 3.06467	Reactive groups: 0

Topological Properties
Globularity: 0.052235	Sterimol/B1: 2.49951	Sterimol/B2: 2.94881	Sterimol/B3: 4.09794
Sterimol/B4: 4.59067	Sterimol/L: 16.7994

Surface and Volume Properties
Accessible surface: 500.357	Positive charged surface: 335.383	Negative charged surface: 164.974	Volume: 254.75
Hydrophobic surface: 462.848	Hydrophilic surface: 37.509

Pharmacophoric Properties
Hydrogen bond donors: 1	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.