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MMsINC code: MMs02335787

Type: Ionized
Formula: C₁₁H₉NO₆-2

SMILES:

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

InChI:

InChI=1/C11H11NO6/c13-9(14)8(10(15)16)12-11(17)18-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,13,14)(H,15,16)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2427 kcal/mol

Physical Properties
Molecular Weight: 251.194 g/mol	logS: -2.12041	SlogP: -1.9524	Reactive groups: 0

Topological Properties
Globularity: 0.100021	Sterimol/B1: 2.98281	Sterimol/B2: 3.21963	Sterimol/B3: 3.83467
Sterimol/B4: 4.37519	Sterimol/L: 14.4291

Surface and Volume Properties
Accessible surface: 463.955	Positive charged surface: 208.42	Negative charged surface: 255.535	Volume: 213.375
Hydrophobic surface: 236.22	Hydrophilic surface: 227.735

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

search links for this molecule:

Parent related molecule:

MMs02335786
NCID-ZINC01707620