MMsINC Database Search


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MMsINC code: MMs03276231

Type: Neutral
Formula: C₁₂H₁₆FNO

SMILES:

Fc1ccc(NC(=O)CCCCC)cc1

InChI:

InChI=1/C12H16FNO/c1-2-3-4-5-12(15)14-11-8-6-10(13)7-9-11/h6-9H,2-5H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.0428 kcal/mol

Physical Properties
Molecular Weight: 209.264 g/mol	logS: -3.63674	SlogP: 3.3445	Reactive groups: 0

Topological Properties
Globularity: 0.0245963	Sterimol/B1: 2.67573	Sterimol/B2: 2.97682	Sterimol/B3: 3.83939
Sterimol/B4: 3.94256	Sterimol/L: 16.136

Surface and Volume Properties
Accessible surface: 448.664	Positive charged surface: 293.289	Negative charged surface: 155.375	Volume: 212.25
Hydrophobic surface: 384.027	Hydrophilic surface: 64.637

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.