MMsINC Database Search


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

MMsINC code: MMs01391481

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

O(c1ccccc1C(Oc1ccccc1)=O)c1ccccc1

InChI:

InChI=1/C19H14O3/c20-19(22-16-11-5-2-6-12-16)17-13-7-8-14-18(17)21-15-9-3-1-4-10-15/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0775 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.28165	SlogP: 4.6981	Reactive groups: 0

Topological Properties
Globularity: 0.0830358	Sterimol/B1: 2.17577	Sterimol/B2: 3.56451	Sterimol/B3: 3.68594
Sterimol/B4: 8.14262	Sterimol/L: 15.6799

Surface and Volume Properties
Accessible surface: 554.939	Positive charged surface: 301.685	Negative charged surface: 253.254	Volume: 285.25
Hydrophobic surface: 528.107	Hydrophilic surface: 26.832

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.