MMsINC Database Search


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MMsINC code: MMs02254196

Type: Ionized
Formula: C₁₅H₁₂NO₄-

SMILES:

O(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C15H13NO4/c17-14(18)12-8-4-5-9-13(12)16-15(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.7419 kcal/mol

Physical Properties
Molecular Weight: 270.264 g/mol	logS: -3.66154	SlogP: 2.0652	Reactive groups: 0

Topological Properties
Globularity: 0.050595	Sterimol/B1: 3.63468	Sterimol/B2: 3.64889	Sterimol/B3: 4.52171
Sterimol/B4: 4.67264	Sterimol/L: 16.2749

Surface and Volume Properties
Accessible surface: 507.303	Positive charged surface: 256.712	Negative charged surface: 250.59	Volume: 250.875
Hydrophobic surface: 375.391	Hydrophilic surface: 131.912

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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:

MMs02254195
NCID-ZINC01601233