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MMsINC code: MMs03177504

Type: Neutral
Formula: C₁₆H₂₃NO₂

SMILES:

O(C(CN1CCCCCC1)c1ccccc1)C(=O)C

InChI:

InChI=1/C16H23NO2/c1-14(18)19-16(15-9-5-4-6-10-15)13-17-11-7-2-3-8-12-17/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.662 kcal/mol

Physical Properties
Molecular Weight: 261.365 g/mol	logS: -2.62778	SlogP: 3.2623	Reactive groups: 0

Topological Properties
Globularity: 0.175422	Sterimol/B1: 2.15288	Sterimol/B2: 3.88154	Sterimol/B3: 4.08354
Sterimol/B4: 7.4441	Sterimol/L: 14.0743

Surface and Volume Properties
Accessible surface: 505.157	Positive charged surface: 350.858	Negative charged surface: 154.299	Volume: 276.625
Hydrophobic surface: 477.575	Hydrophilic surface: 27.582

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs03177505
PUBCHEM-ZINC04832966