MMsINC Database Search


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MMsINC code: MMs02749447

Type: Neutral
Formula: C₁₄H₆Cl₄N₂O₂

SMILES:

Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)N(Cc1ccncc1)C2=O

InChI:

InChI=1/C14H6Cl4N2O2/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)5-6-1-3-19-4-2-6/h1-4H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9731 kcal/mol

Physical Properties
Molecular Weight: 376.026 g/mol	logS: -5.38165	SlogP: 4.7578	Reactive groups: 0

Topological Properties
Globularity: 0.113467	Sterimol/B1: 3.40307	Sterimol/B2: 3.78011	Sterimol/B3: 3.98413
Sterimol/B4: 6.36683	Sterimol/L: 13.7178

Surface and Volume Properties
Accessible surface: 509.81	Positive charged surface: 213.36	Negative charged surface: 296.45	Volume: 282.25
Hydrophobic surface: 429.446	Hydrophilic surface: 80.364

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.