MMsINC Database Search


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MMsINC code: MMs02698118

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₃

SMILES:

Clc1cccc(Cl)c1COC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C15H12Cl2O3/c1-19-11-7-5-10(6-8-11)15(18)20-9-12-13(16)3-2-4-14(12)17/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.664 kcal/mol

Physical Properties
Molecular Weight: 311.164 g/mol	logS: -5.05347	SlogP: 4.6254	Reactive groups: 0

Topological Properties
Globularity: 0.0679989	Sterimol/B1: 1.969	Sterimol/B2: 4.74434	Sterimol/B3: 4.74626
Sterimol/B4: 6.51722	Sterimol/L: 15.4737

Surface and Volume Properties
Accessible surface: 528.238	Positive charged surface: 262.552	Negative charged surface: 265.687	Volume: 269.375
Hydrophobic surface: 481.512	Hydrophilic surface: 46.726

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.