MMsINC Database Search


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MMsINC code: MMs02285669

Type: Ionized
Formula: C₁₁H₁₀NO₅-

SMILES:

O(CCN(C=O)c1ccc(cc1)C(=O)[O-])C=O

InChI:

InChI=1/C11H11NO5/c13-7-12(5-6-17-8-14)10-3-1-9(2-4-10)11(15)16/h1-4,7-8H,5-6H2,(H,15,16)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.076 kcal/mol

Physical Properties
Molecular Weight: 236.203 g/mol	logS: -1.91156	SlogP: -0.8141	Reactive groups: 0

Topological Properties
Globularity: 0.14516	Sterimol/B1: 2.85374	Sterimol/B2: 3.27823	Sterimol/B3: 4.14483
Sterimol/B4: 5.00284	Sterimol/L: 12.5873

Surface and Volume Properties
Accessible surface: 423.732	Positive charged surface: 215.306	Negative charged surface: 208.426	Volume: 211.25
Hydrophobic surface: 210.034	Hydrophilic surface: 213.698

Pharmacophoric Properties
Hydrogen bond donors: 0	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:

MMs02285668
NCID-ZINC01644637