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MMsINC code: MMs02359354

Type: Neutral
Formula: C₁₅H₂₂N₂O₂

SMILES:

OC(C)c1cc(NC(=O)NC2CCCCC2)ccc1

InChI:

InChI=1/C15H22N2O2/c1-11(18)12-6-5-9-14(10-12)17-15(19)16-13-7-3-2-4-8-13/h5-6,9-11,13,18H,2-4,7-8H2,1H3,(H2,16,17,19)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.2978 kcal/mol

Physical Properties
Molecular Weight: 262.353 g/mol	logS: -2.99756	SlogP: 3.2896	Reactive groups: 0

Topological Properties
Globularity: 0.0651583	Sterimol/B1: 2.46613	Sterimol/B2: 3.37282	Sterimol/B3: 4.15866
Sterimol/B4: 7.25711	Sterimol/L: 15.1654

Surface and Volume Properties
Accessible surface: 521.719	Positive charged surface: 368.766	Negative charged surface: 152.953	Volume: 269.25
Hydrophobic surface: 401.063	Hydrophilic surface: 120.656

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.