MMsINC Database Search


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MMsINC code: MMs02881028

Type: Neutral
Formula: C₁₆H₁₄Cl₄O₃

SMILES:

Clc1cc(Cl)ccc1OCCOCCOc1ccc(Cl)cc1Cl

InChI:

InChI=1/C16H14Cl4O3/c17-11-1-3-15(13(19)9-11)22-7-5-21-6-8-23-16-4-2-12(18)10-14(16)20/h1-4,9-10H,5-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8961 kcal/mol

Physical Properties
Molecular Weight: 396.097 g/mol	logS: -6.35978	SlogP: 5.7746	Reactive groups: 0

Topological Properties
Globularity: 0.101102	Sterimol/B1: 3.91918	Sterimol/B2: 3.9894	Sterimol/B3: 5.71272
Sterimol/B4: 6.02973	Sterimol/L: 18.3211

Surface and Volume Properties
Accessible surface: 651.61	Positive charged surface: 283.704	Negative charged surface: 367.907	Volume: 328.375
Hydrophobic surface: 646.679	Hydrophilic surface: 4.931

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.