MMsINC Database Search


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MMsINC code: MMs01547961

Type: Neutral
Formula: C₁₁H₁₆N₂O₄

SMILES:

O(C(=O)c1n(ccc1)C)CC(=O)NCCOC

InChI:

InChI=1/C11H16N2O4/c1-13-6-3-4-9(13)11(15)17-8-10(14)12-5-7-16-2/h3-4,6H,5,7-8H2,1-2H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.7776 kcal/mol

Physical Properties
Molecular Weight: 240.259 g/mol	logS: -0.57197	SlogP: 0.3037	Reactive groups: 0

Topological Properties
Globularity: 0.0202182	Sterimol/B1: 2.24997	Sterimol/B2: 2.85491	Sterimol/B3: 3.00843
Sterimol/B4: 5.87121	Sterimol/L: 17.0315

Surface and Volume Properties
Accessible surface: 497.91	Positive charged surface: 374.185	Negative charged surface: 123.725	Volume: 232
Hydrophobic surface: 380.981	Hydrophilic surface: 116.929

Pharmacophoric Properties
Hydrogen bond donors: 1	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.