MMsINC Database Search


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MMsINC code: MMs00006372

Type: Neutral
Formula: C₇H₆Cl₂O

SMILES:

Clc1cc(cc(Cl)c1)CO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.069 kcal/mol

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

Topological Properties
Globularity: 0.0538291	Sterimol/B1: 2.23089	Sterimol/B2: 2.87658	Sterimol/B3: 3.54837
Sterimol/B4: 5.94245	Sterimol/L: 9.68748

Surface and Volume Properties
Accessible surface: 340.637	Positive charged surface: 134.491	Negative charged surface: 206.145	Volume: 148
Hydrophobic surface: 277.19	Hydrophilic surface: 63.447

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.