MMsINC Database Search


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MMsINC code: MMs03216317

Type: Neutral
Formula: C₁₄H₁₀Cl₃NO₂

SMILES:

Clc1cc(Cl)cc(Cl)c1Oc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C14H10Cl3NO2/c1-8(19)18-10-2-4-11(5-3-10)20-14-12(16)6-9(15)7-13(14)17/h2-7H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7523 kcal/mol

Physical Properties
Molecular Weight: 330.598 g/mol	logS: -5.57991	SlogP: 5.3975	Reactive groups: 0

Topological Properties
Globularity: 0.0792784	Sterimol/B1: 3.19854	Sterimol/B2: 4.64242	Sterimol/B3: 4.82725
Sterimol/B4: 5.21822	Sterimol/L: 16.3131

Surface and Volume Properties
Accessible surface: 523.068	Positive charged surface: 204.526	Negative charged surface: 318.542	Volume: 270.875
Hydrophobic surface: 472.056	Hydrophilic surface: 51.012

Pharmacophoric Properties
Hydrogen bond donors: 1	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.