MMsINC Database Search


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

MMsINC code: MMs01736449

Type: Neutral
Formula: C₁₈H₁₀O₅

SMILES:

O1c2c(cccc2)C(OC2=CC(Oc3c2cccc3)=O)=CC1=O

InChI:

InChI=1/C18H10O5/c19-17-9-15(11-5-1-3-7-13(11)22-17)21-16-10-18(20)23-14-8-4-2-6-12(14)16/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6537 kcal/mol

Physical Properties
Molecular Weight: 306.273 g/mol	logS: -6.01189	SlogP: 2.9232	Reactive groups: 0

Topological Properties
Globularity: 0.137432	Sterimol/B1: 2.34908	Sterimol/B2: 4.65786	Sterimol/B3: 5.2348
Sterimol/B4: 6.34055	Sterimol/L: 14.3372

Surface and Volume Properties
Accessible surface: 501.405	Positive charged surface: 249.486	Negative charged surface: 251.919	Volume: 267.5
Hydrophobic surface: 369.897	Hydrophilic surface: 131.508

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.