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MMsINC code: MMs03323726

Type: Neutral
Formula: C₁₆H₂₉NO₂

SMILES:

O(CC1CCC(CC1C)C)C(=O)CN1CCCCC1

InChI:

InChI=1/C16H29NO2/c1-13-6-7-15(14(2)10-13)12-19-16(18)11-17-8-4-3-5-9-17/h13-15H,3-12H2,1-2H3/t13-,14-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7537 kcal/mol

Physical Properties
Molecular Weight: 267.413 g/mol	logS: -3.85556	SlogP: 3.0878	Reactive groups: 1

Topological Properties
Globularity: 0.0489624	Sterimol/B1: 2.1798	Sterimol/B2: 3.52568	Sterimol/B3: 4.61456
Sterimol/B4: 4.63358	Sterimol/L: 16.7028

Surface and Volume Properties
Accessible surface: 539.815	Positive charged surface: 439.949	Negative charged surface: 99.8656	Volume: 291.625
Hydrophobic surface: 475.877	Hydrophilic surface: 63.938

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs03323727
PUBCHEM-ZINC05611411