MMsINC Database Search


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MMsINC code: MMs02865631

Type: Neutral
Formula: C₁₀H₁₁Cl₃O₃

SMILES:

Clc1cc(Cl)c(Cl)cc1OCC(O)COC

InChI:

InChI=1/C10H11Cl3O3/c1-15-4-6(14)5-16-10-3-8(12)7(11)2-9(10)13/h2-3,6,14H,4-5H2,1H3/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1014 kcal/mol

Physical Properties
Molecular Weight: 285.554 g/mol	logS: -3.57823	SlogP: 3.0329	Reactive groups: 0

Topological Properties
Globularity: 0.0339915	Sterimol/B1: 2.30663	Sterimol/B2: 3.47291	Sterimol/B3: 4.80843
Sterimol/B4: 5.42671	Sterimol/L: 15.8107

Surface and Volume Properties
Accessible surface: 485.069	Positive charged surface: 239.404	Negative charged surface: 245.665	Volume: 229.125
Hydrophobic surface: 430.011	Hydrophilic surface: 55.058

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.