MMsINC Database Search


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MMsINC code: MMs00185816

Type: Neutral
Formula: C₁₆H₁₃Cl₄NO₂

SMILES:

Clc1ccccc1OC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl

InChI:

InChI=1/C16H13Cl4NO2/c17-12-8-4-5-9-13(12)23-15(16(18,19)20)21-14(22)10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,21,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0172 kcal/mol

Physical Properties
Molecular Weight: 393.097 g/mol	logS: -6.45998	SlogP: 5.19387	Reactive groups: 0

Topological Properties
Globularity: 0.128353	Sterimol/B1: 2.69561	Sterimol/B2: 3.51498	Sterimol/B3: 5.55176
Sterimol/B4: 7.47993	Sterimol/L: 14.1461

Surface and Volume Properties
Accessible surface: 592.692	Positive charged surface: 225.592	Negative charged surface: 367.101	Volume: 318.625
Hydrophobic surface: 416.413	Hydrophilic surface: 176.279

Pharmacophoric Properties
Hydrogen bond donors: 1	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.