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MMsINC code: MMs03442062

Type: Neutral
Formula: C₁₇H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1/C(=N/NC(=O)COc1ccccc1)/CC

InChI:

InChI=1/C17H16Cl2N2O2/c1-2-16(14-9-8-12(18)10-15(14)19)20-21-17(22)11-23-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,21,22)/b20-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8727 kcal/mol

Physical Properties
Molecular Weight: 351.233 g/mol	logS: -5.59148	SlogP: 4.3027	Reactive groups: 0

Topological Properties
Globularity: 0.0511901	Sterimol/B1: 2.10559	Sterimol/B2: 2.92095	Sterimol/B3: 5.55428
Sterimol/B4: 9.28251	Sterimol/L: 16.1845

Surface and Volume Properties
Accessible surface: 611.568	Positive charged surface: 296.473	Negative charged surface: 315.095	Volume: 317.875
Hydrophobic surface: 527.826	Hydrophilic surface: 83.742

Pharmacophoric Properties
Hydrogen bond donors: 1	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.