MMsINC Database Search


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

MMsINC code: MMs02235829

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

OC(=O)C(C(O)=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H12O4/c16-13(17)15(14(18)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7844 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -2.92861	SlogP: 2.1419	Reactive groups: 0

Topological Properties
Globularity: 0.390052	Sterimol/B1: 2.45034	Sterimol/B2: 4.06809	Sterimol/B3: 4.91164
Sterimol/B4: 6.2963	Sterimol/L: 11.638

Surface and Volume Properties
Accessible surface: 441.332	Positive charged surface: 237.85	Negative charged surface: 203.482	Volume: 234.25
Hydrophobic surface: 306.848	Hydrophilic surface: 134.484

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02235830
NCID-ZINC01577601