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MMsINC code: MMs03268310

Type: Neutral
Formula: C₁₈H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1\C=N\NC(=O)COc1ccc(cc1)CCC

InChI:

InChI=1/C18H18Cl2N2O2/c1-2-4-13-7-9-14(10-8-13)24-12-18(23)22-21-11-15-16(19)5-3-6-17(15)20/h3,5-11H,2,4,12H2,1H3,(H,22,23)/b21-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.645 kcal/mol

Physical Properties
Molecular Weight: 365.26 g/mol	logS: -6.58791	SlogP: 4.47497	Reactive groups: 0

Topological Properties
Globularity: 0.010339	Sterimol/B1: 2.48479	Sterimol/B2: 3.37773	Sterimol/B3: 4.46617
Sterimol/B4: 4.89265	Sterimol/L: 21.7136

Surface and Volume Properties
Accessible surface: 637.09	Positive charged surface: 350.564	Negative charged surface: 286.526	Volume: 334.625
Hydrophobic surface: 531.667	Hydrophilic surface: 105.423

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.