MMsINC Database Search


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MMsINC code: MMs00007623

Type: Neutral
Formula: C₇H₆Cl₂O

SMILES:

Clc1c(cccc1Cl)CO

InChI:

InChI=1/C7H6Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.3374 kcal/mol

Physical Properties
Molecular Weight: 177.03 g/mol	logS: -2.62448	SlogP: 2.7521	Reactive groups: 0

Topological Properties
Globularity: 0.0235378	Sterimol/B1: 2.37317	Sterimol/B2: 2.37694	Sterimol/B3: 2.50864
Sterimol/B4: 6.3137	Sterimol/L: 9.94633

Surface and Volume Properties
Accessible surface: 328.162	Positive charged surface: 139.856	Negative charged surface: 188.306	Volume: 149.125
Hydrophobic surface: 272.591	Hydrophilic surface: 55.571

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.