MMsINC Database Search


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MMsINC code: MMs02370528

Type: Ionized
Formula: C₁₄H₁₁O₄-

SMILES:

O(Cc1ccccc1)c1cc(O)c(cc1)C(=O)[O-]

InChI:

InChI=1/C14H12O4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.44 kcal/mol

Physical Properties
Molecular Weight: 243.238 g/mol	logS: -3.07106	SlogP: 1.6011	Reactive groups: 0

Topological Properties
Globularity: 0.0225618	Sterimol/B1: 2.61345	Sterimol/B2: 2.6942	Sterimol/B3: 3.32776
Sterimol/B4: 4.27551	Sterimol/L: 15.5311

Surface and Volume Properties
Accessible surface: 463.351	Positive charged surface: 232.809	Negative charged surface: 230.541	Volume: 225.75
Hydrophobic surface: 339.095	Hydrophilic surface: 124.256

Pharmacophoric Properties
Hydrogen bond donors: 1	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:

MMs02370527
NCID-ZINC01768378