MMsINC Database Search


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MMsINC code: MMs00693208

Type: Neutral
Formula: C₁₆H₁₄Cl₄N₂O₂

SMILES:

Clc1ccccc1C(=O)NC(Nc1ccc(OC)cc1)C(Cl)(Cl)Cl

InChI:

InChI=1/C16H14Cl4N2O2/c1-24-11-8-6-10(7-9-11)21-15(16(18,19)20)22-14(23)12-4-2-3-5-13(12)17/h2-9,15,21H,1H3,(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.397 kcal/mol

Physical Properties
Molecular Weight: 408.112 g/mol	logS: -6.19497	SlogP: 5.3067	Reactive groups: 0

Topological Properties
Globularity: 0.0948311	Sterimol/B1: 3.0343	Sterimol/B2: 3.13389	Sterimol/B3: 4.4717
Sterimol/B4: 8.10015	Sterimol/L: 16.0018

Surface and Volume Properties
Accessible surface: 606.338	Positive charged surface: 251.742	Negative charged surface: 354.597	Volume: 334
Hydrophobic surface: 418.34	Hydrophilic surface: 187.998

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.