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MMsINC code: MMs01751763

Type: Neutral
Formula: C₁₉H₁₇Cl₂N₂+

SMILES:

Clc1cc(ccc1Cl)C[n+]1cc(n2CCCc12)-c1ccccc1

InChI:

InChI=1/C19H17Cl2N2/c20-16-9-8-14(11-17(16)21)12-22-13-18(15-5-2-1-3-6-15)23-10-4-7-19(22)23/h1-3,5-6,8-9,11,13H,4,7,10,12H2/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4737 kcal/mol

Physical Properties
Molecular Weight: 344.265 g/mol	logS: -5.60185	SlogP: 5.27667	Reactive groups: 0

Topological Properties
Globularity: 0.101775	Sterimol/B1: 3.44179	Sterimol/B2: 4.02654	Sterimol/B3: 4.48631
Sterimol/B4: 7.28728	Sterimol/L: 15.5446

Surface and Volume Properties
Accessible surface: 573.364	Positive charged surface: 303.935	Negative charged surface: 269.429	Volume: 321.875
Hydrophobic surface: 534.369	Hydrophilic surface: 38.995

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.