MMsINC Database Search


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MMsINC code: MMs01384536

Type: Neutral
Formula: C₁₅H₁₀Cl₄O₂

SMILES:

Clc1cccc(Cl)c1CC(OCc1c(Cl)cccc1Cl)=O

InChI:

InChI=1/C15H10Cl4O2/c16-11-3-1-4-12(17)9(11)7-15(20)21-8-10-13(18)5-2-6-14(10)19/h1-6H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2729 kcal/mol

Physical Properties
Molecular Weight: 364.055 g/mol	logS: -6.53314	SlogP: 5.85247	Reactive groups: 1

Topological Properties
Globularity: 0.0380511	Sterimol/B1: 2.61396	Sterimol/B2: 3.6241	Sterimol/B3: 4.74536
Sterimol/B4: 4.74652	Sterimol/L: 16.2396

Surface and Volume Properties
Accessible surface: 545.322	Positive charged surface: 191.184	Negative charged surface: 354.138	Volume: 292
Hydrophobic surface: 518.161	Hydrophilic surface: 27.161

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.