MMsINC Database Search


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MMsINC code: MMs02850934

Type: Neutral
Formula: C₈H₉ClO₂

SMILES:

Clc1cccc(OC)c1OC

InChI:

InChI=1/C8H9ClO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6398 kcal/mol

Physical Properties
Molecular Weight: 172.611 g/mol	logS: -2.21993	SlogP: 2.3572	Reactive groups: 0

Topological Properties
Globularity: 0.0628937	Sterimol/B1: 2.52337	Sterimol/B2: 2.5317	Sterimol/B3: 3.07112
Sterimol/B4: 5.97461	Sterimol/L: 9.85432

Surface and Volume Properties
Accessible surface: 353.361	Positive charged surface: 230.355	Negative charged surface: 123.006	Volume: 158.875
Hydrophobic surface: 339.187	Hydrophilic surface: 14.174

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.