MMsINC Database Search


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MMsINC code: MMs00589452

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O=C(NC(C)(C)C)c1ccc(cc1)C(=O)NC(C)(C)C

InChI:

InChI=1/C16H24N2O2/c1-15(2,3)17-13(19)11-7-9-12(10-8-11)14(20)18-16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9802 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -3.6404	SlogP: 2.7432	Reactive groups: 0

Topological Properties
Globularity: 0.0442205	Sterimol/B1: 2.37499	Sterimol/B2: 4.07491	Sterimol/B3: 4.16324
Sterimol/B4: 4.87424	Sterimol/L: 16.1835

Surface and Volume Properties
Accessible surface: 545.719	Positive charged surface: 349.477	Negative charged surface: 196.242	Volume: 292.375
Hydrophobic surface: 394.44	Hydrophilic surface: 151.279

Pharmacophoric Properties
Hydrogen bond donors: 2	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.