MMsINC Database Search


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MMsINC code: MMs03020815

Type: Neutral
Formula: C₁₁H₁₂N₂O₃

SMILES:

O1C(CN(C(=O)NC)C1=O)c1ccccc1

InChI:

InChI=1/C11H12N2O3/c1-12-10(14)13-7-9(16-11(13)15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,14)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.4855 kcal/mol

Physical Properties
Molecular Weight: 220.228 g/mol	logS: -1.87921	SlogP: 1.6148	Reactive groups: 0

Topological Properties
Globularity: 0.128117	Sterimol/B1: 2.63493	Sterimol/B2: 2.6939	Sterimol/B3: 4.72315
Sterimol/B4: 5.37062	Sterimol/L: 13.2575

Surface and Volume Properties
Accessible surface: 427.851	Positive charged surface: 273.288	Negative charged surface: 154.563	Volume: 203.25
Hydrophobic surface: 314.658	Hydrophilic surface: 113.193

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.