MMsINC Database Search


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MMsINC code: MMs01365725

Type: Neutral
Formula: C₁₅H₁₁Cl₃O₂

SMILES:

Clc1cccc(Cl)c1COC(=O)Cc1ccc(Cl)cc1

InChI:

InChI=1/C15H11Cl3O2/c16-11-6-4-10(5-7-11)8-15(19)20-9-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.3886 kcal/mol

Physical Properties
Molecular Weight: 329.61 g/mol	logS: -5.79885	SlogP: 5.19907	Reactive groups: 1

Topological Properties
Globularity: 0.0374058	Sterimol/B1: 2.86987	Sterimol/B2: 3.39152	Sterimol/B3: 4.7445
Sterimol/B4: 4.74619	Sterimol/L: 17.4187

Surface and Volume Properties
Accessible surface: 543.378	Positive charged surface: 215.662	Negative charged surface: 327.716	Volume: 278.25
Hydrophobic surface: 510.72	Hydrophilic surface: 32.658

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.