MMsINC Database Search


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MMsINC code: MMs00121131

Type: Neutral
Formula: C₁₃H₁₀Cl₂O

SMILES:

Clc1cc(Cl)ccc1OCc1ccccc1

InChI:

InChI=1/C13H10Cl2O/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3334 kcal/mol

Physical Properties
Molecular Weight: 253.128 g/mol	logS: -4.67174	SlogP: 4.8388	Reactive groups: 0

Topological Properties
Globularity: 0.087356	Sterimol/B1: 3.61686	Sterimol/B2: 3.62235	Sterimol/B3: 3.93864
Sterimol/B4: 4.72571	Sterimol/L: 15.3307

Surface and Volume Properties
Accessible surface: 467.91	Positive charged surface: 189.528	Negative charged surface: 278.382	Volume: 226.25
Hydrophobic surface: 463.368	Hydrophilic surface: 4.542

Pharmacophoric Properties
Hydrogen bond donors: 0	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.