MMsINC Database Search


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MMsINC code: MMs00747134

Type: Neutral
Formula: C₁₈H₂₀Cl₂O₄

SMILES:

Clc1ccc(Cl)cc1OCCOCCOc1ccc(OCC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0924 kcal/mol

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

Topological Properties
Globularity: 0.0653998	Sterimol/B1: 3.22456	Sterimol/B2: 4.74428	Sterimol/B3: 4.75264
Sterimol/B4: 6.9967	Sterimol/L: 19.3679

Surface and Volume Properties
Accessible surface: 682.801	Positive charged surface: 396.02	Negative charged surface: 286.781	Volume: 340.125
Hydrophobic surface: 643.085	Hydrophilic surface: 39.716

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.