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MMsINC code: MMs02641265

Type: Neutral
Formula: C₁₄H₂₁NO

SMILES:

O1CCN(CC1)CCC(C)c1ccccc1

InChI:

InChI=1/C14H21NO/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15/h2-6,13H,7-12H2,1H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7289 kcal/mol

Physical Properties
Molecular Weight: 219.328 g/mol	logS: -2.32627	SlogP: 2.5124	Reactive groups: 0

Topological Properties
Globularity: 0.10666	Sterimol/B1: 2.0128	Sterimol/B2: 2.18686	Sterimol/B3: 5.16875
Sterimol/B4: 5.44314	Sterimol/L: 14.4499

Surface and Volume Properties
Accessible surface: 472.563	Positive charged surface: 355.419	Negative charged surface: 117.144	Volume: 241
Hydrophobic surface: 438.704	Hydrophilic surface: 33.859

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

MMs02641266
PUBCHEM-ZINC00217977