MMsINC Database Search


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MMsINC code: MMs00820214

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O(C)c1ccc(cc1)CN(C)C1CCCCC1

InChI:

InChI=1/C15H23NO/c1-16(14-6-4-3-5-7-14)12-13-8-10-15(17-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0556 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -2.77785	SlogP: 3.7261	Reactive groups: 0

Topological Properties
Globularity: 0.0581404	Sterimol/B1: 2.01403	Sterimol/B2: 3.14988	Sterimol/B3: 3.51763
Sterimol/B4: 5.74691	Sterimol/L: 16.2096

Surface and Volume Properties
Accessible surface: 485.683	Positive charged surface: 383.853	Negative charged surface: 101.83	Volume: 256.25
Hydrophobic surface: 469.329	Hydrophilic surface: 16.354

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00820215
CHEMBRIDGE-ZINC04987006