MMsINC Database Search


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MMsINC code: MMs00727526

Type: Neutral
Formula: C₁₇H₁₆Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1ccccc1C(=O)NCCOC

InChI:

InChI=1/C17H16Cl2N2O3/c1-24-9-8-20-16(22)13-4-2-3-5-15(13)21-17(23)12-7-6-11(18)10-14(12)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8896 kcal/mol

Physical Properties
Molecular Weight: 367.232 g/mol	logS: -5.11222	SlogP: 3.6219	Reactive groups: 0

Topological Properties
Globularity: 0.0264928	Sterimol/B1: 2.47929	Sterimol/B2: 3.91666	Sterimol/B3: 4.34284
Sterimol/B4: 7.6684	Sterimol/L: 17.5283

Surface and Volume Properties
Accessible surface: 609.059	Positive charged surface: 340.383	Negative charged surface: 268.676	Volume: 321.25
Hydrophobic surface: 550.928	Hydrophilic surface: 58.131

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.