MMsINC Database Search


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MMsINC code: MMs02304348

Type: Ionized
Formula: C₁₁H₇O₃-

SMILES:

o1ccc(C(=O)[O-])c1-c1ccccc1

InChI:

InChI=1/C11H8O3/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h1-7H,(H,12,13)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.4498 kcal/mol

Physical Properties
Molecular Weight: 187.174 g/mol	logS: -3.60856	SlogP: 1.3101	Reactive groups: 0

Topological Properties
Globularity: 0.040342	Sterimol/B1: 2.51709	Sterimol/B2: 2.93469	Sterimol/B3: 4.10178
Sterimol/B4: 4.14723	Sterimol/L: 11.6072

Surface and Volume Properties
Accessible surface: 367.546	Positive charged surface: 166.22	Negative charged surface: 201.326	Volume: 173.125
Hydrophobic surface: 279.141	Hydrophilic surface: 88.405

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs02304347
NCID-ZINC01668239