MMsINC Database Search


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MMsINC code: MMs00114723

Type: Neutral
Formula: C₁₄H₁₈FNO

SMILES:

Fc1ccccc1C(=O)NC1CCCCCC1

InChI:

InChI=1/C14H18FNO/c15-13-10-6-5-9-12(13)14(17)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.5645 kcal/mol

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

Topological Properties
Globularity: 0.0633971	Sterimol/B1: 2.5325	Sterimol/B2: 2.83757	Sterimol/B3: 3.79047
Sterimol/B4: 5.18422	Sterimol/L: 14.5521

Surface and Volume Properties
Accessible surface: 457.106	Positive charged surface: 292.743	Negative charged surface: 164.363	Volume: 234.25
Hydrophobic surface: 427.588	Hydrophilic surface: 29.518

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.