MMsINC Database Search


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

MMsINC code: MMs02314307

Type: Neutral
Formula: C₁₃H₁₀Cl₂O₂

SMILES:

Clc1cc(Cl)cc(O)c1Cc1ccccc1O

InChI:

InChI=1/C13H10Cl2O2/c14-9-6-11(15)10(13(17)7-9)5-8-3-1-2-4-12(8)16/h1-4,6-7,16-17H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2261 kcal/mol

Physical Properties
Molecular Weight: 269.127 g/mol	logS: -3.93249	SlogP: 3.99537	Reactive groups: 0

Topological Properties
Globularity: 0.167142	Sterimol/B1: 3.34901	Sterimol/B2: 3.58584	Sterimol/B3: 4.06097
Sterimol/B4: 5.56041	Sterimol/L: 12.8132

Surface and Volume Properties
Accessible surface: 437.936	Positive charged surface: 204.801	Negative charged surface: 233.135	Volume: 230.25
Hydrophobic surface: 371.692	Hydrophilic surface: 66.244

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.