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MMsINC code: MMs03081041

Type: Ionized
Formula: C₁₀H₁₁N₂O₄-

SMILES:

O=C([O-])C(NC(=O)NO)Cc1ccccc1

InChI:

InChI=1/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/p-1/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.1242 kcal/mol

Physical Properties
Molecular Weight: 223.208 g/mol	logS: -1.59937	SlogP: -0.96403	Reactive groups: 0

Topological Properties
Globularity: 0.212918	Sterimol/B1: 3.2363	Sterimol/B2: 3.63047	Sterimol/B3: 5.26143
Sterimol/B4: 5.29677	Sterimol/L: 11.2843

Surface and Volume Properties
Accessible surface: 411.528	Positive charged surface: 214.186	Negative charged surface: 197.342	Volume: 200.5
Hydrophobic surface: 209.037	Hydrophilic surface: 202.491

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs03081040
PUBCHEM-ZINC03872182