MMsINC Database Search


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

MMsINC code: MMs00057373

Type: Neutral
Formula: C₂₇H₁₉ClO₂

SMILES:

Clc1ccccc1C(c1c2c(ccc1O)cccc2)c1c2c(ccc1O)cccc2

InChI:

InChI=1/C27H19ClO2/c28-22-12-6-5-11-21(22)27(25-19-9-3-1-7-17(19)13-15-23(25)29)26-20-10-4-2-8-18(20)14-16-24(26)30/h1-16,27,29-30H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.416 kcal/mol

Physical Properties
Molecular Weight: 410.9 g/mol	logS: -8.59642	SlogP: 7.2378	Reactive groups: 0

Topological Properties
Globularity: 0.327578	Sterimol/B1: 2.55768	Sterimol/B2: 4.55111	Sterimol/B3: 5.81886
Sterimol/B4: 11.655	Sterimol/L: 13.4982

Surface and Volume Properties
Accessible surface: 601.111	Positive charged surface: 292.883	Negative charged surface: 298.164	Volume: 382.375
Hydrophobic surface: 570.94	Hydrophilic surface: 30.171

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.