MMsINC Database Search


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MMsINC code: MMs02900638

Type: Neutral
Formula: C₁₄H₉Cl₅O

SMILES:

Clc1ccccc1C(O)(C(Cl)(Cl)Cl)c1ccc(Cl)cc1

InChI:

InChI=1/C14H9Cl5O/c15-10-7-5-9(6-8-10)13(20,14(17,18)19)11-3-1-2-4-12(11)16/h1-8,20H/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.742 kcal/mol

Physical Properties
Molecular Weight: 370.49 g/mol	logS: -6.80014	SlogP: 6.3309	Reactive groups: 0

Topological Properties
Globularity: 0.214635	Sterimol/B1: 3.66628	Sterimol/B2: 3.99521	Sterimol/B3: 4.65591
Sterimol/B4: 5.54092	Sterimol/L: 12.7621

Surface and Volume Properties
Accessible surface: 485.323	Positive charged surface: 143.991	Negative charged surface: 341.332	Volume: 282.125
Hydrophobic surface: 327.54	Hydrophilic surface: 157.783

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.