MMsINC Database Search


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MMsINC code: MMs02335352

Type: Neutral
Formula: C₁₈H₁₆Cl₄O₂

SMILES:

Clc1cc(cc(Cl)c1O)C1(CCCCC1)c1cc(Cl)c(O)c(Cl)c1

InChI:

InChI=1/C18H16Cl4O2/c19-12-6-10(7-13(20)16(12)23)18(4-2-1-3-5-18)11-8-14(21)17(24)15(22)9-11/h6-9,23-24H,1-5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.012 kcal/mol

Physical Properties
Molecular Weight: 406.136 g/mol	logS: -8.18858	SlogP: 6.9616	Reactive groups: 0

Topological Properties
Globularity: 0.294854	Sterimol/B1: 3.20102	Sterimol/B2: 4.89181	Sterimol/B3: 6.03646
Sterimol/B4: 6.09286	Sterimol/L: 12.9065

Surface and Volume Properties
Accessible surface: 575.052	Positive charged surface: 235.981	Negative charged surface: 339.071	Volume: 331
Hydrophobic surface: 494.575	Hydrophilic surface: 80.477

Pharmacophoric Properties
Hydrogen bond donors: 2	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.