MMsINC Database Search


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MMsINC code: MMs00745989

Type: Neutral
Formula: C₁₈H₂₀Cl₂O₄

SMILES:

Clc1c(OCCOCCOc2ccccc2OCC)cccc1Cl

InChI:

InChI=1/C18H20Cl2O4/c1-2-22-15-7-3-4-8-16(15)23-12-10-21-11-13-24-17-9-5-6-14(19)18(17)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)=100.566 kcal/mol

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

Topological Properties
Globularity: 0.159908	Sterimol/B1: 2.40706	Sterimol/B2: 3.63108	Sterimol/B3: 6.64842
Sterimol/B4: 8.38259	Sterimol/L: 16.0987

Surface and Volume Properties
Accessible surface: 674.005	Positive charged surface: 402.2	Negative charged surface: 271.805	Volume: 340.375
Hydrophobic surface: 635.992	Hydrophilic surface: 38.013

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.