MMsINC Database Search


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MMsINC code: MMs00746708

Type: Neutral
Formula: C₁₆H₂₄FNO

SMILES:

Fc1ccc(cc1)CC(=O)NC(CCCC(C)C)C

InChI:

InChI=1/C16H24FNO/c1-12(2)5-4-6-13(3)18-16(19)11-14-7-9-15(17)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H,18,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2849 kcal/mol

Physical Properties
Molecular Weight: 265.372 g/mol	logS: -4.80453	SlogP: 3.69917	Reactive groups: 0

Topological Properties
Globularity: 0.0529949	Sterimol/B1: 2.75716	Sterimol/B2: 3.37387	Sterimol/B3: 3.70915
Sterimol/B4: 6.74332	Sterimol/L: 16.5737

Surface and Volume Properties
Accessible surface: 553.223	Positive charged surface: 371.252	Negative charged surface: 181.971	Volume: 285.5
Hydrophobic surface: 463.477	Hydrophilic surface: 89.746

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.