MMsINC Database Search


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

MMsINC code: MMs02350336

Type: Neutral
Formula: C₁₄H₁₂O₄

SMILES:

O(C(=O)c1ccccc1O)c1ccccc1OC

InChI:

InChI=1/C14H12O4/c1-17-12-8-4-5-9-13(12)18-14(16)10-6-2-3-7-11(10)15/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5447 kcal/mol

Physical Properties
Molecular Weight: 244.246 g/mol	logS: -3.18737	SlogP: 2.62	Reactive groups: 0

Topological Properties
Globularity: 0.120396	Sterimol/B1: 2.40054	Sterimol/B2: 3.96526	Sterimol/B3: 4.19195
Sterimol/B4: 7.31457	Sterimol/L: 14.0629

Surface and Volume Properties
Accessible surface: 469.956	Positive charged surface: 295.419	Negative charged surface: 174.537	Volume: 229.75
Hydrophobic surface: 401.35	Hydrophilic surface: 68.606

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.