MMsINC Database Search


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MMsINC code: MMs01751926

Type: Neutral
Formula: C₁₀H₁₀Cl₂O₂

SMILES:

Clc1cc(Cl)cc(C(=O)C)c1OCC

InChI:

InChI=1/C10H10Cl2O2/c1-3-14-10-8(6(2)13)4-7(11)5-9(10)12/h4-5H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2519 kcal/mol

Physical Properties
Molecular Weight: 233.094 g/mol	logS: -3.54332	SlogP: 3.5947	Reactive groups: 0

Topological Properties
Globularity: 0.0534191	Sterimol/B1: 2.61008	Sterimol/B2: 2.62272	Sterimol/B3: 4.81778
Sterimol/B4: 5.58525	Sterimol/L: 11.9548

Surface and Volume Properties
Accessible surface: 411.489	Positive charged surface: 189.126	Negative charged surface: 222.363	Volume: 203.375
Hydrophobic surface: 357.188	Hydrophilic surface: 54.301

Pharmacophoric Properties
Hydrogen bond donors: 0	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.