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MMsINC code: MMs02840371

Type: Neutral
Formula: C₁₇H₂₅NO₂

SMILES:

O(C(=O)c1ccccc1)CCCCN1CCCCC1C

InChI:

InChI=1/C17H25NO2/c1-15-9-5-6-12-18(15)13-7-8-14-20-17(19)16-10-3-2-4-11-16/h2-4,10-11,15H,5-9,12-14H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.4133 kcal/mol

Physical Properties
Molecular Weight: 275.392 g/mol	logS: -3.1494	SlogP: 3.498	Reactive groups: 0

Topological Properties
Globularity: 0.0295667	Sterimol/B1: 2.17529	Sterimol/B2: 2.50167	Sterimol/B3: 4.10651
Sterimol/B4: 6.39615	Sterimol/L: 18.7621

Surface and Volume Properties
Accessible surface: 576.277	Positive charged surface: 412.008	Negative charged surface: 164.269	Volume: 295.25
Hydrophobic surface: 517.108	Hydrophilic surface: 59.169

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

MMs02840372
PUBCHEM-ZINC01997778