MMsINC Database Search


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MMsINC code: MMs02082978

Type: Neutral
Formula: C₁₁H₁₂N₂O₄

SMILES:

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

InChI:

InChI=1/C11H12N2O4/c1-12-9(14)10(15)13-8-5-3-7(4-6-8)11(16)17-2/h3-6H,1-2H3,(H,12,14)(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8298 kcal/mol

Physical Properties
Molecular Weight: 236.227 g/mol	logS: -2.14127	SlogP: 0.1577	Reactive groups: 0

Topological Properties
Globularity: 0.0125981	Sterimol/B1: 2.41747	Sterimol/B2: 2.57156	Sterimol/B3: 2.99378
Sterimol/B4: 5.00207	Sterimol/L: 16.1097

Surface and Volume Properties
Accessible surface: 459.937	Positive charged surface: 325.54	Negative charged surface: 134.398	Volume: 214.625
Hydrophobic surface: 313.941	Hydrophilic surface: 145.996

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.