MMsINC Database Search


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MMsINC code: MMs02665940

Type: Neutral
Formula: C₁₄H₉Cl₄NO

SMILES:

Clc1cc(Cl)ccc1NC(=O)Cc1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C14H9Cl4NO/c15-9-2-4-13(12(18)7-9)19-14(20)6-8-1-3-10(16)11(17)5-8/h1-5,7H,6H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1227 kcal/mol

Physical Properties
Molecular Weight: 349.044 g/mol	logS: -6.3535	SlogP: 5.48137	Reactive groups: 0

Topological Properties
Globularity: 0.0864492	Sterimol/B1: 2.88279	Sterimol/B2: 4.0146	Sterimol/B3: 4.95178
Sterimol/B4: 5.0991	Sterimol/L: 16.264

Surface and Volume Properties
Accessible surface: 539.139	Positive charged surface: 182.575	Negative charged surface: 356.564	Volume: 277.625
Hydrophobic surface: 508.311	Hydrophilic surface: 30.828

Pharmacophoric Properties
Hydrogen bond donors: 1	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.