MMsINC Database Search


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MMsINC code: MMs01243314

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₃

SMILES:

Clc1ccc(cc1)COC(=O)COc1ccc(Cl)cc1

InChI:

InChI=1/C15H12Cl2O3/c16-12-3-1-11(2-4-12)9-20-15(18)10-19-14-7-5-13(17)6-8-14/h1-8H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.104 kcal/mol

Physical Properties
Molecular Weight: 311.164 g/mol	logS: -5.07991	SlogP: 4.382	Reactive groups: 1

Topological Properties
Globularity: 0.0432005	Sterimol/B1: 2.42017	Sterimol/B2: 3.83346	Sterimol/B3: 4.3316
Sterimol/B4: 4.81743	Sterimol/L: 19.1125

Surface and Volume Properties
Accessible surface: 551.909	Positive charged surface: 242.087	Negative charged surface: 309.822	Volume: 271.5
Hydrophobic surface: 497.609	Hydrophilic surface: 54.3

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.