MMsINC Database Search


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

MMsINC code: MMs03541306

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

Oc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C19H16O3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)22/h1-12,19-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5876 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -3.74442	SlogP: 3.9836	Reactive groups: 0

Topological Properties
Globularity: 0.271596	Sterimol/B1: 2.5526	Sterimol/B2: 3.37246	Sterimol/B3: 5.89545
Sterimol/B4: 8.83656	Sterimol/L: 12.2216

Surface and Volume Properties
Accessible surface: 517.649	Positive charged surface: 303.568	Negative charged surface: 214.081	Volume: 283.875
Hydrophobic surface: 373.739	Hydrophilic surface: 143.91

Pharmacophoric Properties
Hydrogen bond donors: 3	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.