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MMsINC code: MMs03950291

Type: Neutral
Formula: C₁₇H₂₃NO₂

SMILES:

O(C(=O)C12C(CCCC1)CN(C2)Cc1ccccc1)C

InChI:

InChI=1/C17H23NO2/c1-20-16(19)17-10-6-5-9-15(17)12-18(13-17)11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3/t15-,17+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1864 kcal/mol

Physical Properties
Molecular Weight: 273.376 g/mol	logS: -3.10353	SlogP: 3.1182	Reactive groups: 0

Topological Properties
Globularity: 0.185446	Sterimol/B1: 2.03349	Sterimol/B2: 3.23874	Sterimol/B3: 4.89327
Sterimol/B4: 6.97482	Sterimol/L: 14.2228

Surface and Volume Properties
Accessible surface: 498.81	Positive charged surface: 369.961	Negative charged surface: 128.85	Volume: 281.25
Hydrophobic surface: 474.65	Hydrophilic surface: 24.16

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs03950292
TYGER-ZINC02547055