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MMsINC code: MMs02815733

Type: Neutral
Formula: C₁₅H₁₉NO₂

SMILES:

O(C(=O)C(C)(C)c1c2c(n(c1)C)cccc2)CC

InChI:

InChI=1/C15H19NO2/c1-5-18-14(17)15(2,3)12-10-16(4)13-9-7-6-8-11(12)13/h6-10H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0808 kcal/mol

Physical Properties
Molecular Weight: 245.322 g/mol	logS: -2.74274	SlogP: 3.3782	Reactive groups: 0

Topological Properties
Globularity: 0.124738	Sterimol/B1: 2.84315	Sterimol/B2: 4.85837	Sterimol/B3: 4.91357
Sterimol/B4: 4.98571	Sterimol/L: 13.4713

Surface and Volume Properties
Accessible surface: 492.384	Positive charged surface: 335.481	Negative charged surface: 153.921	Volume: 255.625
Hydrophobic surface: 405.838	Hydrophilic surface: 86.546

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.