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MMsINC code: MMs00829251

Type: Neutral
Formula: C₁₅H₂₁NO

SMILES:

OC1CC2N(C(C1)CC2)CCc1ccccc1

InChI:

InChI=1/C15H21NO/c17-15-10-13-6-7-14(11-15)16(13)9-8-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2/t13-,14+,15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.7545 kcal/mol

Physical Properties
Molecular Weight: 231.339 g/mol	logS: -2.22002	SlogP: 2.21677	Reactive groups: 0

Topological Properties
Globularity: 0.104129	Sterimol/B1: 3.59339	Sterimol/B2: 3.67888	Sterimol/B3: 3.8266
Sterimol/B4: 3.98357	Sterimol/L: 14.9341

Surface and Volume Properties
Accessible surface: 469.5	Positive charged surface: 318.568	Negative charged surface: 150.932	Volume: 247.75
Hydrophobic surface: 418.635	Hydrophilic surface: 50.865

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00829252
CHEMDIV-ZINC00027584