MMsINC Database Search


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MMsINC code: MMs00648081

Type: Neutral
Formula: C₁₃H₈Cl₄N₂O

SMILES:

Clc1ccc(Cl)cc1NC(=O)Nc1cc(Cl)ccc1Cl

InChI:

InChI=1/C13H8Cl4N2O/c14-7-1-3-9(16)11(5-7)18-13(20)19-12-6-8(15)2-4-10(12)17/h1-6H,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4391 kcal/mol

Physical Properties
Molecular Weight: 350.032 g/mol	logS: -6.18921	SlogP: 5.9442	Reactive groups: 0

Topological Properties
Globularity: 0.0401915	Sterimol/B1: 3.34794	Sterimol/B2: 3.68865	Sterimol/B3: 4.15718
Sterimol/B4: 5.53209	Sterimol/L: 14.4006

Surface and Volume Properties
Accessible surface: 532.12	Positive charged surface: 161.49	Negative charged surface: 370.63	Volume: 272.75
Hydrophobic surface: 487.897	Hydrophilic surface: 44.223

Pharmacophoric Properties
Hydrogen bond donors: 2	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.