MMsINC Database Search


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MMsINC code: MMs03016958

Type: Neutral
Formula: C₁₁H₁₂N₂O₅

SMILES:

OC(=O)c1cc(NC(=O)CO)c(NC(=O)C)cc1

InChI:

InChI=1/C11H12N2O5/c1-6(15)12-8-3-2-7(11(17)18)4-9(8)13-10(16)5-14/h2-4,14H,5H2,1H3,(H,12,15)(H,13,16)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.6722 kcal/mol

Physical Properties
Molecular Weight: 252.226 g/mol	logS: -1.56328	SlogP: 0.274	Reactive groups: 0

Topological Properties
Globularity: 0.0309973	Sterimol/B1: 2.4409	Sterimol/B2: 2.56436	Sterimol/B3: 2.64782
Sterimol/B4: 9.32048	Sterimol/L: 12.7519

Surface and Volume Properties
Accessible surface: 465.302	Positive charged surface: 291.749	Negative charged surface: 173.553	Volume: 217.875
Hydrophobic surface: 229.482	Hydrophilic surface: 235.82

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs03016959
PUBCHEM-ZINC03581157