MMsINC Database Search


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MMsINC code: MMs02635537

Type: Ionized
Formula: C₁₀H₉N₂O₅-

SMILES:

O(C(=O)NNC(=O)c1ccccc1C(=O)[O-])C

InChI:

InChI=1/C10H10N2O5/c1-17-10(16)12-11-8(13)6-4-2-3-5-7(6)9(14)15/h2-5H,1H3,(H,11,13)(H,12,16)(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.5756 kcal/mol

Physical Properties
Molecular Weight: 237.191 g/mol	logS: -2.12217	SlogP: -0.9491	Reactive groups: 0

Topological Properties
Globularity: 0.0405357	Sterimol/B1: 2.25199	Sterimol/B2: 3.70295	Sterimol/B3: 3.95489
Sterimol/B4: 5.15615	Sterimol/L: 13.246

Surface and Volume Properties
Accessible surface: 424.425	Positive charged surface: 241.167	Negative charged surface: 183.258	Volume: 201
Hydrophobic surface: 242.484	Hydrophilic surface: 181.941

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02635536
PUBCHEM-ZINC00143501