MMsINC Database Search


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MMsINC code: MMs00485605

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C(Nc1cc(NC(=O)C)ccc1)c1ccccc1

InChI:

InChI=1/C15H14N2O2/c1-11(18)16-13-8-5-9-14(10-13)17-15(19)12-6-3-2-4-7-12/h2-10H,1H3,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4637 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.56432	SlogP: 2.8973	Reactive groups: 0

Topological Properties
Globularity: 0.0171015	Sterimol/B1: 2.40643	Sterimol/B2: 2.52099	Sterimol/B3: 2.77199
Sterimol/B4: 7.06051	Sterimol/L: 16.2225

Surface and Volume Properties
Accessible surface: 493.459	Positive charged surface: 283.077	Negative charged surface: 210.382	Volume: 246
Hydrophobic surface: 406.036	Hydrophilic surface: 87.423

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.