MMsINC Database Search


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MMsINC code: MMs02354872

Type: Neutral
Formula: C₁₄H₈Cl₄O₃

SMILES:

Clc1cc(Cl)cc(Cl)c1OC(=O)COc1ccc(Cl)cc1

InChI:

InChI=1/C14H8Cl4O3/c15-8-1-3-10(4-2-8)20-7-13(19)21-14-11(17)5-9(16)6-12(14)18/h1-6H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4461 kcal/mol

Physical Properties
Molecular Weight: 366.027 g/mol	logS: -6.51292	SlogP: 5.2846	Reactive groups: 0

Topological Properties
Globularity: 0.062134	Sterimol/B1: 2.49449	Sterimol/B2: 4.69461	Sterimol/B3: 4.80242
Sterimol/B4: 5.08316	Sterimol/L: 18.6577

Surface and Volume Properties
Accessible surface: 555.114	Positive charged surface: 168.388	Negative charged surface: 386.726	Volume: 283.125
Hydrophobic surface: 520.392	Hydrophilic surface: 34.722

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.