MMsINC Database Search


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MMsINC code: MMs00663102

Type: Neutral
Formula: C₁₄H₁₀Cl₄N₂O

SMILES:

Clc1cc(ccc1Cl)CNC(=O)Nc1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C14H10Cl4N2O/c15-10-3-1-8(5-12(10)17)7-19-14(21)20-9-2-4-11(16)13(18)6-9/h1-6H,7H2,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.9995 kcal/mol

Physical Properties
Molecular Weight: 364.059 g/mol	logS: -6.13325	SlogP: 5.8883	Reactive groups: 0

Topological Properties
Globularity: 0.0452617	Sterimol/B1: 2.55233	Sterimol/B2: 2.63247	Sterimol/B3: 4.18564
Sterimol/B4: 5.60017	Sterimol/L: 18.609

Surface and Volume Properties
Accessible surface: 566.621	Positive charged surface: 206.947	Negative charged surface: 359.674	Volume: 288.25
Hydrophobic surface: 497.816	Hydrophilic surface: 68.805

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.