MMsINC Database Search


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MMsINC code: MMs00746302

Type: Neutral
Formula: C₁₈H₂₀Cl₂O₄

SMILES:

Clc1ccc(Cl)cc1OCCCCOc1c(OC)cccc1OC

InChI:

InChI=1/C18H20Cl2O4/c1-21-15-6-5-7-16(22-2)18(15)24-11-4-3-10-23-17-12-13(19)8-9-14(17)20/h5-9,12H,3-4,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3015 kcal/mol

Physical Properties
Molecular Weight: 371.26 g/mol	logS: -5.25286	SlogP: 5.2486	Reactive groups: 0

Topological Properties
Globularity: 0.0461248	Sterimol/B1: 2.35138	Sterimol/B2: 4.82928	Sterimol/B3: 5.36371
Sterimol/B4: 9.50721	Sterimol/L: 18.7477

Surface and Volume Properties
Accessible surface: 658.706	Positive charged surface: 407.789	Negative charged surface: 250.918	Volume: 337.125
Hydrophobic surface: 643.306	Hydrophilic surface: 15.4

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.