MMsINC Database Search


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MMsINC code: MMs00013243

Type: Neutral
Formula: C₇H₇ClO₂

SMILES:

Clc1cc(OC)cc(O)c1

InChI:

InChI=1/C7H7ClO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.9332 kcal/mol

Physical Properties
Molecular Weight: 158.584 g/mol	logS: -1.8076	SlogP: 2.0542	Reactive groups: 0

Topological Properties
Globularity: 0.0259215	Sterimol/B1: 2.34605	Sterimol/B2: 2.40028	Sterimol/B3: 3.41905
Sterimol/B4: 5.69226	Sterimol/L: 10.0744

Surface and Volume Properties
Accessible surface: 332.426	Positive charged surface: 186.263	Negative charged surface: 146.163	Volume: 139.75
Hydrophobic surface: 270.344	Hydrophilic surface: 62.082

Pharmacophoric Properties
Hydrogen bond donors: 1	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.