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MMsINC code: MMs02891791

Type: Neutral
Formula: C₁₅H₁₉NO

SMILES:

O(CC(N(C)C)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C15H19NO/c1-12(16(2)3)11-17-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12H,11H2,1-3H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1348 kcal/mol

Physical Properties
Molecular Weight: 229.323 g/mol	logS: -3.53824	SlogP: 3.1687	Reactive groups: 0

Topological Properties
Globularity: 0.0840716	Sterimol/B1: 2.4706	Sterimol/B2: 3.27076	Sterimol/B3: 5.07285
Sterimol/B4: 5.82149	Sterimol/L: 15.08

Surface and Volume Properties
Accessible surface: 478.36	Positive charged surface: 334.797	Negative charged surface: 133.561	Volume: 250.25
Hydrophobic surface: 456.827	Hydrophilic surface: 21.533

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

MMs02891792
PUBCHEM-ZINC02518819