MMsINC Database Search


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MMsINC code: MMs01727893

Type: Neutral
Formula: C₁₄H₁₀Cl₄O₂

SMILES:

Clc1cc(Cl)ccc1OCCOc1ccc(Cl)cc1Cl

InChI:

InChI=1/C14H10Cl4O2/c15-9-1-3-13(11(17)7-9)19-5-6-20-14-4-2-10(16)8-12(14)18/h1-4,7-8H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4785 kcal/mol

Physical Properties
Molecular Weight: 352.044 g/mol	logS: -6.21714	SlogP: 5.758	Reactive groups: 0

Topological Properties
Globularity: 0.0456445	Sterimol/B1: 2.91055	Sterimol/B2: 3.16858	Sterimol/B3: 4.47851
Sterimol/B4: 5.06703	Sterimol/L: 18.3641

Surface and Volume Properties
Accessible surface: 558.008	Positive charged surface: 200.225	Negative charged surface: 357.783	Volume: 281.375
Hydrophobic surface: 556.771	Hydrophilic surface: 1.2370000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.