MMsINC Database Search


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

MMsINC code: MMs02320318

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

O(C)c1cc(O)c(cc1)C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C15H14O4/c1-18-11-5-3-10(4-6-11)15(17)13-8-7-12(19-2)9-14(13)16/h3-9,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3766 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -3.1965	SlogP: 2.6404	Reactive groups: 0

Topological Properties
Globularity: 0.0765533	Sterimol/B1: 2.94702	Sterimol/B2: 3.8283	Sterimol/B3: 3.88267
Sterimol/B4: 5.1896	Sterimol/L: 16.4425

Surface and Volume Properties
Accessible surface: 488.506	Positive charged surface: 329.716	Negative charged surface: 158.79	Volume: 247.25
Hydrophobic surface: 395.638	Hydrophilic surface: 92.868

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.