MMsINC Database Search


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

MMsINC code: MMs02626420

Type: Neutral
Formula: C₁₅H₁₂O₅

SMILES:

O(Cc1ccc(cc1)C(O)=O)c1cccc(O)c1C=O

InChI:

InChI=1/C15H12O5/c16-8-12-13(17)2-1-3-14(12)20-9-10-4-6-11(7-5-10)15(18)19/h1-8,17H,9H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2572 kcal/mol

Physical Properties
Molecular Weight: 272.256 g/mol	logS: -2.81672	SlogP: 2.7483	Reactive groups: 1

Topological Properties
Globularity: 0.0639586	Sterimol/B1: 2.49247	Sterimol/B2: 3.46168	Sterimol/B3: 3.84042
Sterimol/B4: 6.65008	Sterimol/L: 15.9119

Surface and Volume Properties
Accessible surface: 494.755	Positive charged surface: 291.83	Negative charged surface: 202.925	Volume: 248.5
Hydrophobic surface: 295.521	Hydrophilic surface: 199.234

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	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:

Ions/Tautomers related molecules

MMs02626421
PUBCHEM-ZINC00010202