MMsINC Database Search


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

MMsINC code: MMs03537192

Type: Neutral
Formula: C₇H₆Cl₂O₂

SMILES:

Clc1cc(cc(Cl)c1O)CO

InChI:

InChI=1/C7H6Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,10-11H,3H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8055 kcal/mol

Physical Properties
Molecular Weight: 193.029 g/mol	logS: -2.26253	SlogP: 2.4577	Reactive groups: 0

Topological Properties
Globularity: 0.0550725	Sterimol/B1: 2.12137	Sterimol/B2: 3.02695	Sterimol/B3: 3.55202
Sterimol/B4: 5.94823	Sterimol/L: 10.2081

Surface and Volume Properties
Accessible surface: 351.092	Positive charged surface: 152.826	Negative charged surface: 198.266	Volume: 151
Hydrophobic surface: 246.588	Hydrophilic surface: 104.504

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.