MMsINC Database Search


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MMsINC code: MMs00626488

Type: Neutral
Formula: C₈H₈Cl₂O₂

SMILES:

Clc1cc(cc(Cl)c1OC)CO

InChI:

InChI=1/C8H8Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.872 kcal/mol

Physical Properties
Molecular Weight: 207.056 g/mol	logS: -2.67486	SlogP: 2.7607	Reactive groups: 0

Topological Properties
Globularity: 0.0490979	Sterimol/B1: 2.20017	Sterimol/B2: 2.90041	Sterimol/B3: 4.74885
Sterimol/B4: 4.75094	Sterimol/L: 11.9419

Surface and Volume Properties
Accessible surface: 375.054	Positive charged surface: 195.9	Negative charged surface: 179.154	Volume: 173
Hydrophobic surface: 302.636	Hydrophilic surface: 72.418

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.