MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02356189

Type: Neutral
Formula: C₉H₈Cl₃NO₂

SMILES:

Clc1cc(Cl)c(Cl)cc1OC(=O)N(C)C

InChI:

InChI=1/C9H8Cl3NO2/c1-13(2)9(14)15-8-4-6(11)5(10)3-7(8)12/h3-4H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8563 kcal/mol

Physical Properties
Molecular Weight: 268.527 g/mol	logS: -3.66914	SlogP: 3.7072	Reactive groups: 0

Topological Properties
Globularity: 0.110419	Sterimol/B1: 2.42998	Sterimol/B2: 4.45968	Sterimol/B3: 4.64476
Sterimol/B4: 4.86203	Sterimol/L: 13.2526

Surface and Volume Properties
Accessible surface: 440.004	Positive charged surface: 207.184	Negative charged surface: 232.82	Volume: 212.375
Hydrophobic surface: 414.769	Hydrophilic surface: 25.235

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.