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MMsINC code: MMs00479439

Type: Neutral
Formula: C₁₁H₁₆N₂O₂

SMILES:

O(C(C)(C)C)C(=O)Nc1ncccc1C

InChI:

InChI=1/C11H16N2O2/c1-8-6-5-7-12-9(8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.9098 kcal/mol

Physical Properties
Molecular Weight: 208.261 g/mol	logS: -1.85901	SlogP: 2.73702	Reactive groups: 0

Topological Properties
Globularity: 0.0671938	Sterimol/B1: 1.969	Sterimol/B2: 3.62221	Sterimol/B3: 3.62666
Sterimol/B4: 6.7801	Sterimol/L: 13.1947

Surface and Volume Properties
Accessible surface: 440.173	Positive charged surface: 303.706	Negative charged surface: 136.467	Volume: 213
Hydrophobic surface: 336.984	Hydrophilic surface: 103.189

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.