MMsINC Database Search


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MMsINC code: MMs00611129

Type: Neutral
Formula: C₁₄H₁₈FNO

SMILES:

Fc1ccc(NC(=O)CCC2CCCC2)cc1

InChI:

InChI=1/C14H18FNO/c15-12-6-8-13(9-7-12)16-14(17)10-5-11-3-1-2-4-11/h6-9,11H,1-5,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1643 kcal/mol

Physical Properties
Molecular Weight: 235.302 g/mol	logS: -4.56514	SlogP: 3.7346	Reactive groups: 0

Topological Properties
Globularity: 0.0368054	Sterimol/B1: 2.96693	Sterimol/B2: 2.97202	Sterimol/B3: 3.49278
Sterimol/B4: 4.81502	Sterimol/L: 15.9859

Surface and Volume Properties
Accessible surface: 481.997	Positive charged surface: 322.51	Negative charged surface: 159.487	Volume: 237.75
Hydrophobic surface: 439.927	Hydrophilic surface: 42.07

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.