MMsINC Database Search


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MMsINC code: MMs02857105

Type: Neutral
Formula: C₇H₆Cl₂O

SMILES:

ClC(Cl)(O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.2577 kcal/mol

Physical Properties
Molecular Weight: 177.03 g/mol	logS: -2.79838	SlogP: 2.5783	Reactive groups: 0

Topological Properties
Globularity: 0.0649107	Sterimol/B1: 3.51558	Sterimol/B2: 3.51658	Sterimol/B3: 3.59166
Sterimol/B4: 3.86643	Sterimol/L: 9.69144

Surface and Volume Properties
Accessible surface: 333.078	Positive charged surface: 117.183	Negative charged surface: 215.895	Volume: 148.75
Hydrophobic surface: 177.559	Hydrophilic surface: 155.519

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.