MMsINC Database Search


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MMsINC code: MMs00696765

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(CCCC)c1ccccc1NC(=O)CCCC

InChI:

InChI=1/C15H23NO2/c1-3-5-11-15(17)16-13-9-7-8-10-14(13)18-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4436 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -3.92112	SlogP: 3.9942	Reactive groups: 0

Topological Properties
Globularity: 0.0258844	Sterimol/B1: 2.55653	Sterimol/B2: 3.47347	Sterimol/B3: 3.49404
Sterimol/B4: 8.0106	Sterimol/L: 16.8972

Surface and Volume Properties
Accessible surface: 554.443	Positive charged surface: 404.481	Negative charged surface: 149.962	Volume: 271.125
Hydrophobic surface: 466.468	Hydrophilic surface: 87.975

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.