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MMsINC code: MMs02839278

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O(C(=O)c1ccc(N)cc1)CCCN1CC(CCC1)C

InChI:

InChI=1/C16H24N2O2/c1-13-4-2-9-18(12-13)10-3-11-20-16(19)14-5-7-15(17)8-6-14/h5-8,13H,2-4,9-12,17H2,1H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.093 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -2.54307	SlogP: 2.5476	Reactive groups: 0

Topological Properties
Globularity: 0.0233754	Sterimol/B1: 2.39526	Sterimol/B2: 3.50803	Sterimol/B3: 4.03558
Sterimol/B4: 4.8549	Sterimol/L: 19.1219

Surface and Volume Properties
Accessible surface: 568.7	Positive charged surface: 423.683	Negative charged surface: 145.017	Volume: 288.375
Hydrophobic surface: 447.156	Hydrophilic surface: 121.544

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02839279
PUBCHEM-ZINC01996171