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MMsINC code: MMs00647534

Type: Neutral
Formula: C₁₇H₁₇Cl₂N₃O₂

SMILES:

Clc1cc(NC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl

InChI:

InChI=1/C17H17Cl2N3O2/c18-15-6-3-13(11-16(15)19)21-17(23)20-12-1-4-14(5-2-12)22-7-9-24-10-8-22/h1-6,11H,7-10H2,(H2,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.175 kcal/mol

Physical Properties
Molecular Weight: 366.248 g/mol	logS: -4.93952	SlogP: 4.474	Reactive groups: 0

Topological Properties
Globularity: 0.0450796	Sterimol/B1: 3.05037	Sterimol/B2: 3.94615	Sterimol/B3: 4.23895
Sterimol/B4: 4.69637	Sterimol/L: 18.8294

Surface and Volume Properties
Accessible surface: 597.646	Positive charged surface: 344.705	Negative charged surface: 252.941	Volume: 321
Hydrophobic surface: 511.098	Hydrophilic surface: 86.548

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.