MMsINC Database Search


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MMsINC code: MMs03482639

Type: Neutral
Formula: C₇H₆Cl₂O₂

SMILES:

Clc1cc(O)cc(Cl)c1OC

InChI:

InChI=1/C7H6Cl2O2/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3,10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8853 kcal/mol

Physical Properties
Molecular Weight: 193.029 g/mol	logS: -2.54189	SlogP: 2.7076	Reactive groups: 0

Topological Properties
Globularity: 0.042556	Sterimol/B1: 2.09876	Sterimol/B2: 2.85088	Sterimol/B3: 4.74796
Sterimol/B4: 4.75063	Sterimol/L: 10.6669

Surface and Volume Properties
Accessible surface: 344.976	Positive charged surface: 163.784	Negative charged surface: 181.193	Volume: 156.375
Hydrophobic surface: 285.297	Hydrophilic surface: 59.679

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.