MMsINC Database Search


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MMsINC code: MMs00274949

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

O(C)c1ccc(NC(=O)C(=O)NCc2ccccc2)cc1

InChI:

InChI=1/C16H16N2O3/c1-21-14-9-7-13(8-10-14)18-16(20)15(19)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1653 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.57782	SlogP: 2.2165	Reactive groups: 0

Topological Properties
Globularity: 0.0378342	Sterimol/B1: 3.30714	Sterimol/B2: 3.4932	Sterimol/B3: 4.05106
Sterimol/B4: 4.87288	Sterimol/L: 18.7027

Surface and Volume Properties
Accessible surface: 555.393	Positive charged surface: 348.438	Negative charged surface: 206.955	Volume: 273.5
Hydrophobic surface: 440.95	Hydrophilic surface: 114.443

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.