MMsINC Database Search


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MMsINC code: MMs00583501

Type: Neutral
Formula: C₁₄H₁₈FNO

SMILES:

Fc1ccc(cc1)C(=O)NC1CCCCCC1

InChI:

InChI=1/C14H18FNO/c15-12-9-7-11(8-10-12)14(17)16-13-5-3-1-2-4-6-13/h7-10,13H,1-6H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8899 kcal/mol

Physical Properties
Molecular Weight: 235.302 g/mol	logS: -3.81235	SlogP: 3.2783	Reactive groups: 0

Topological Properties
Globularity: 0.0596578	Sterimol/B1: 2.65407	Sterimol/B2: 2.75008	Sterimol/B3: 3.61272
Sterimol/B4: 4.92656	Sterimol/L: 14.6822

Surface and Volume Properties
Accessible surface: 454.533	Positive charged surface: 285.226	Negative charged surface: 169.308	Volume: 236.25
Hydrophobic surface: 421.92	Hydrophilic surface: 32.613

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.