MMsINC Database Search


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

MMsINC code: MMs00264741

Type: Neutral
Formula: C₂₃H₁₆O₂

SMILES:

O(C(=O)c1ccc(cc1)-c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H16O2/c24-23(25-22-15-14-18-8-4-5-9-21(18)16-22)20-12-10-19(11-13-20)17-6-2-1-3-7-17/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.484 kcal/mol

Physical Properties
Molecular Weight: 324.379 g/mol	logS: -7.8032	SlogP: 5.726	Reactive groups: 0

Topological Properties
Globularity: 0.0347176	Sterimol/B1: 3.15986	Sterimol/B2: 3.33365	Sterimol/B3: 3.54311
Sterimol/B4: 4.1239	Sterimol/L: 20.5162

Surface and Volume Properties
Accessible surface: 606.947	Positive charged surface: 286.423	Negative charged surface: 297.04	Volume: 322.375
Hydrophobic surface: 575.166	Hydrophilic surface: 31.781

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.