MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02851259

Type: Ionized
Formula: C₁₂H₉O₃-

SMILES:

o1cc(cc1Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C12H10O3/c13-12(14)10-7-11(15-8-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.9601 kcal/mol

Physical Properties
Molecular Weight: 201.201 g/mol	logS: -3.16923	SlogP: 1.23387	Reactive groups: 0

Topological Properties
Globularity: 0.156265	Sterimol/B1: 2.31966	Sterimol/B2: 3.78138	Sterimol/B3: 3.92133
Sterimol/B4: 4.89183	Sterimol/L: 12.6395

Surface and Volume Properties
Accessible surface: 404.023	Positive charged surface: 194.354	Negative charged surface: 209.669	Volume: 192.25
Hydrophobic surface: 296.671	Hydrophilic surface: 107.352

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:

MMs02851258
PUBCHEM-ZINC02014808