MMsINC Database Search


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

MMsINC code: MMs00718740

Type: Neutral
Formula: C₁₀H₉Cl₂NO₃

SMILES:

ClC(Cl)C(=O)Nc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C10H9Cl2NO3/c1-16-10(15)6-2-4-7(5-3-6)13-9(14)8(11)12/h2-5,8H,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4625 kcal/mol

Physical Properties
Molecular Weight: 262.092 g/mol	logS: -3.37999	SlogP: 2.6353	Reactive groups: 0

Topological Properties
Globularity: 0.022448	Sterimol/B1: 2.75626	Sterimol/B2: 3.72158	Sterimol/B3: 3.76539
Sterimol/B4: 3.87239	Sterimol/L: 15.2267

Surface and Volume Properties
Accessible surface: 452.261	Positive charged surface: 218.705	Negative charged surface: 233.556	Volume: 215.125
Hydrophobic surface: 244.43	Hydrophilic surface: 207.831

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.