MMsINC Database Search


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MMsINC code: MMs00262521

Type: Neutral
Formula: C₁₄H₂₀FNO

SMILES:

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

InChI:

InChI=1/C14H20FNO/c1-3-5-6-11(4-2)14(17)16-13-9-7-12(15)8-10-13/h7-11H,3-6H2,1-2H3,(H,16,17)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2671 kcal/mol

Physical Properties
Molecular Weight: 237.318 g/mol	logS: -4.35373	SlogP: 3.9806	Reactive groups: 0

Topological Properties
Globularity: 0.101164	Sterimol/B1: 2.14028	Sterimol/B2: 3.14587	Sterimol/B3: 4.18548
Sterimol/B4: 8.78199	Sterimol/L: 13.9265

Surface and Volume Properties
Accessible surface: 497.458	Positive charged surface: 323.141	Negative charged surface: 174.317	Volume: 246.75
Hydrophobic surface: 426.987	Hydrophilic surface: 70.471

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.