MMsINC Database Search


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MMsINC code: MMs00594079

Type: Neutral
Formula: C₁₅H₂₀FNO

SMILES:

Fc1ccc(NC(=O)CCC2CCCCC2)cc1

InChI:

InChI=1/C15H20FNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.6501 kcal/mol

Physical Properties
Molecular Weight: 249.329 g/mol	logS: -5.08036	SlogP: 4.1247	Reactive groups: 0

Topological Properties
Globularity: 0.0290009	Sterimol/B1: 2.8166	Sterimol/B2: 2.93082	Sterimol/B3: 3.23243
Sterimol/B4: 4.83233	Sterimol/L: 16.8003

Surface and Volume Properties
Accessible surface: 500.407	Positive charged surface: 338.463	Negative charged surface: 161.944	Volume: 251.625
Hydrophobic surface: 458.337	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.