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MMsINC code: MMs02231174

Type: Ionized
Formula: C₁₀H₉NO₄-2

SMILES:

O=C([O-])C(N)(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C10H11NO4/c11-10(8(12)13,9(14)15)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)(H,14,15)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7785 kcal/mol

Physical Properties
Molecular Weight: 207.185 g/mol	logS: -1.62385	SlogP: -2.57363	Reactive groups: 0

Topological Properties
Globularity: 0.172203	Sterimol/B1: 3.62917	Sterimol/B2: 3.76051	Sterimol/B3: 3.77008
Sterimol/B4: 4.21318	Sterimol/L: 11.7802

Surface and Volume Properties
Accessible surface: 377.459	Positive charged surface: 167.476	Negative charged surface: 209.984	Volume: 184.75
Hydrophobic surface: 200.536	Hydrophilic surface: 176.923

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 4	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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Parent related molecule:

MMs02231173
NCID-ZINC01570963