MMsINC Database Search


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MMsINC code: MMs03405850

Type: Neutral
Formula: C₁₉H₃₂Cl₂N+

SMILES:

Clc1cc(Cl)ccc1C[N+](CCCC)(CCCC)CCCC

InChI:

InChI=1/C19H32Cl2N/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.448 kcal/mol

Physical Properties
Molecular Weight: 345.378 g/mol	logS: -5.72713	SlogP: 6.9769	Reactive groups: 0

Topological Properties
Globularity: 0.112439	Sterimol/B1: 2.23101	Sterimol/B2: 2.57313	Sterimol/B3: 4.16613
Sterimol/B4: 9.65333	Sterimol/L: 13.357

Surface and Volume Properties
Accessible surface: 597.405	Positive charged surface: 371.603	Negative charged surface: 225.802	Volume: 355.75
Hydrophobic surface: 512.858	Hydrophilic surface: 84.547

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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: 0

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Ions/Tautomers related molecules: no related molecules available.