MMsINC Database Search


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MMsINC code: MMs02345467

Type: Neutral
Formula: C₁₄H₂₀Cl₂O₄

SMILES:

ClCCOCCOc1ccccc1OCCOCCCl

InChI:

InChI=1/C14H20Cl2O4/c15-5-7-17-9-11-19-13-3-1-2-4-14(13)20-12-10-18-8-6-16/h1-4H,5-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2879 kcal/mol

Physical Properties
Molecular Weight: 323.216 g/mol	logS: -3.30148	SlogP: 2.955	Reactive groups: 1

Topological Properties
Globularity: 0.141295	Sterimol/B1: 2.42074	Sterimol/B2: 4.29852	Sterimol/B3: 4.75889
Sterimol/B4: 10.0374	Sterimol/L: 14.1207

Surface and Volume Properties
Accessible surface: 631.602	Positive charged surface: 414.16	Negative charged surface: 217.442	Volume: 295.75
Hydrophobic surface: 478.761	Hydrophilic surface: 152.841

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.