MMsINC Database Search


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MMsINC code: MMs01725566

Type: Neutral
Formula: C₁₁H₁₄N₂O₄

SMILES:

O(CC(COC(=O)N)c1ccccc1)C(=O)N

InChI:

InChI=1/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-3.17923 kcal/mol

Physical Properties
Molecular Weight: 238.243 g/mol	logS: -2.00523	SlogP: 0.9608	Reactive groups: 0

Topological Properties
Globularity: 0.158617	Sterimol/B1: 2.54702	Sterimol/B2: 3.55585	Sterimol/B3: 4.05024
Sterimol/B4: 7.40211	Sterimol/L: 13.8506

Surface and Volume Properties
Accessible surface: 472.302	Positive charged surface: 309.603	Negative charged surface: 162.7	Volume: 217.25
Hydrophobic surface: 231.89	Hydrophilic surface: 240.412

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.