MMsINC Database Search


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MMsINC code: MMs00786630

Type: Neutral
Formula: C₁₆H₂₃NO₂

SMILES:

O(CC(=O)NC1CCCCCCC1)c1ccccc1

InChI:

InChI=1/C16H23NO2/c18-16(13-19-15-11-7-4-8-12-15)17-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,14H,1-3,5-6,9-10,13H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.981 kcal/mol

Physical Properties
Molecular Weight: 261.365 g/mol	logS: -4.10941	SlogP: 3.2945	Reactive groups: 0

Topological Properties
Globularity: 0.0611976	Sterimol/B1: 3.50668	Sterimol/B2: 3.8703	Sterimol/B3: 3.99278
Sterimol/B4: 4.03339	Sterimol/L: 16.4362

Surface and Volume Properties
Accessible surface: 527.729	Positive charged surface: 352.371	Negative charged surface: 175.358	Volume: 272.25
Hydrophobic surface: 476.26	Hydrophilic surface: 51.469

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.