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MMsINC code: MMs00717343

Type: Neutral
Formula: C₁₈H₁₉Cl₂N₃O₃

SMILES:

Clc1cc(NC(=O)NCCC(=O)NCCOc2ccc(Cl)cc2)ccc1

InChI:

InChI=1/C18H19Cl2N3O3/c19-13-4-6-16(7-5-13)26-11-10-21-17(24)8-9-22-18(25)23-15-3-1-2-14(20)12-15/h1-7,12H,8-11H2,(H,21,24)(H2,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3405 kcal/mol

Physical Properties
Molecular Weight: 396.274 g/mol	logS: -4.79598	SlogP: 3.7002	Reactive groups: 0

Topological Properties
Globularity: 0.0269492	Sterimol/B1: 2.35848	Sterimol/B2: 4.03277	Sterimol/B3: 4.70137
Sterimol/B4: 4.98596	Sterimol/L: 23.8895

Surface and Volume Properties
Accessible surface: 695.975	Positive charged surface: 375.465	Negative charged surface: 320.511	Volume: 351.125
Hydrophobic surface: 581.646	Hydrophilic surface: 114.329

Pharmacophoric Properties
Hydrogen bond donors: 3	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.