MMsINC Database Search


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

MMsINC code: MMs02596471

Type: Neutral
Formula: C₂₀H₁₆Cl₂O

SMILES:

Clc1cc(Cl)ccc1COc1ccc(cc1)-c1ccc(cc1)C

InChI:

InChI=1/C20H16Cl2O/c1-14-2-4-15(5-3-14)16-7-10-19(11-8-16)23-13-17-6-9-18(21)12-20(17)22/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7869 kcal/mol

Physical Properties
Molecular Weight: 343.253 g/mol	logS: -7.57204	SlogP: 6.81422	Reactive groups: 0

Topological Properties
Globularity: 0.00332004	Sterimol/B1: 2.37963	Sterimol/B2: 2.51231	Sterimol/B3: 4.34181
Sterimol/B4: 4.74655	Sterimol/L: 20.4871

Surface and Volume Properties
Accessible surface: 601.357	Positive charged surface: 247.48	Negative charged surface: 343.257	Volume: 324
Hydrophobic surface: 596.682	Hydrophilic surface: 4.675

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.