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MMsINC code: MMs02840174

Type: Neutral
Formula: C₁₅H₂₂N₂O₂

SMILES:

O(C(=O)N(C)C)c1ccccc1C1N(CCCC1)C

InChI:

InChI=1/C15H22N2O2/c1-16(2)15(18)19-14-10-5-4-8-12(14)13-9-6-7-11-17(13)3/h4-5,8,10,13H,6-7,9,11H2,1-3H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7119 kcal/mol

Physical Properties
Molecular Weight: 262.353 g/mol	logS: -2.09187	SlogP: 2.9993	Reactive groups: 0

Topological Properties
Globularity: 0.265984	Sterimol/B1: 2.0819	Sterimol/B2: 5.33169	Sterimol/B3: 5.70846
Sterimol/B4: 6.00945	Sterimol/L: 11.6383

Surface and Volume Properties
Accessible surface: 500.068	Positive charged surface: 405.361	Negative charged surface: 94.7075	Volume: 270.75
Hydrophobic surface: 480.537	Hydrophilic surface: 19.531

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

MMs02840175
PUBCHEM-ZINC01997617