MMsINC Database Search


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MMsINC code: MMs02898485

Type: Neutral
Formula: C₁₆H₁₄Cl₂O₃

SMILES:

Clc1cc(Cl)ccc1COC(=O)c1ccc(OCC)cc1

InChI:

InChI=1/C16H14Cl2O3/c1-2-20-14-7-4-11(5-8-14)16(19)21-10-12-3-6-13(17)9-15(12)18/h3-9H,2,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8502 kcal/mol

Physical Properties
Molecular Weight: 325.191 g/mol	logS: -5.38068	SlogP: 5.0155	Reactive groups: 0

Topological Properties
Globularity: 0.00719519	Sterimol/B1: 2.37513	Sterimol/B2: 2.37848	Sterimol/B3: 3.97583
Sterimol/B4: 6.29327	Sterimol/L: 17.2741

Surface and Volume Properties
Accessible surface: 565.871	Positive charged surface: 260.895	Negative charged surface: 304.975	Volume: 290.25
Hydrophobic surface: 494.146	Hydrophilic surface: 71.725

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.