MMsINC Database Search


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MMsINC code: MMs02687606

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

O(C(=O)c1ccc(NC(=O)N(C)c2ccccc2)cc1)C

InChI:

InChI=1/C16H16N2O3/c1-18(14-6-4-3-5-7-14)16(20)17-13-10-8-12(9-11-13)15(19)21-2/h3-11H,1-2H3,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2626 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.52779	SlogP: 3.1415	Reactive groups: 0

Topological Properties
Globularity: 0.0426361	Sterimol/B1: 2.07581	Sterimol/B2: 3.29463	Sterimol/B3: 3.71696
Sterimol/B4: 6.52125	Sterimol/L: 16.8311

Surface and Volume Properties
Accessible surface: 543.936	Positive charged surface: 360.417	Negative charged surface: 183.519	Volume: 275.375
Hydrophobic surface: 475.318	Hydrophilic surface: 68.618

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.