MMsINC Database Search


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MMsINC code: MMs01450435

Type: Neutral
Formula: C₁₅H₁₁Cl₄NO₂

SMILES:

Clc1ccccc1CNC(=O)COc1cc(Cl)c(Cl)cc1Cl

InChI:

InChI=1/C15H11Cl4NO2/c16-10-4-2-1-3-9(10)7-20-15(21)8-22-14-6-12(18)11(17)5-13(14)19/h1-6H,7-8H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8387 kcal/mol

Physical Properties
Molecular Weight: 379.07 g/mol	logS: -6.31289	SlogP: 5.2618	Reactive groups: 0

Topological Properties
Globularity: 0.0465717	Sterimol/B1: 2.41927	Sterimol/B2: 4.98114	Sterimol/B3: 5.3132
Sterimol/B4: 5.93448	Sterimol/L: 17.9086

Surface and Volume Properties
Accessible surface: 591.68	Positive charged surface: 218.503	Negative charged surface: 373.177	Volume: 304.875
Hydrophobic surface: 536.271	Hydrophilic surface: 55.409

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.