MMsINC Database Search


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MMsINC code: MMs00745603

Type: Neutral
Formula: C₁₈H₂₀Cl₂O₄

SMILES:

Clc1cccc(Cl)c1OCCOCCOc1ccccc1OCC

InChI:

InChI=1/C18H20Cl2O4/c1-2-22-16-8-3-4-9-17(16)23-12-10-21-11-13-24-18-14(19)6-5-7-15(18)20/h3-9H,2,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8148 kcal/mol

Physical Properties
Molecular Weight: 371.26 g/mol	logS: -5.26879	SlogP: 4.8665	Reactive groups: 0

Topological Properties
Globularity: 0.138899	Sterimol/B1: 2.40776	Sterimol/B2: 2.42499	Sterimol/B3: 6.39296
Sterimol/B4: 8.32645	Sterimol/L: 16.7126

Surface and Volume Properties
Accessible surface: 657.235	Positive charged surface: 395.781	Negative charged surface: 261.454	Volume: 339.5
Hydrophobic surface: 619.877	Hydrophilic surface: 37.358

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.