MMsINC Database Search


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MMsINC code: MMs00679209

Type: Neutral
Formula: C₁₄H₈Cl₄O₂

SMILES:

Clc1cc(cc(Cl)c1OCc1ccc(Cl)cc1Cl)C=O

InChI:

InChI=1/C14H8Cl4O2/c15-10-2-1-9(11(16)5-10)7-20-14-12(17)3-8(6-19)4-13(14)18/h1-6H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9931 kcal/mol

Physical Properties
Molecular Weight: 350.028 g/mol	logS: -6.14643	SlogP: 5.9581	Reactive groups: 1

Topological Properties
Globularity: 0.0846685	Sterimol/B1: 2.52378	Sterimol/B2: 4.72338	Sterimol/B3: 4.77851
Sterimol/B4: 6.37719	Sterimol/L: 16.5712

Surface and Volume Properties
Accessible surface: 526.253	Positive charged surface: 172.966	Negative charged surface: 353.288	Volume: 276
Hydrophobic surface: 459.93	Hydrophilic surface: 66.323

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.