MMsINC Database Search


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MMsINC code: MMs01742155

Type: Neutral
Formula: C₁₃H₁₅Cl₂N₂+

SMILES:

ClC=1N(CCC=1C=[N+](C)C)c1ccccc1Cl

InChI:

InChI=1/C13H15Cl2N2/c1-16(2)9-10-7-8-17(13(10)15)12-6-4-3-5-11(12)14/h3-6,9H,7-8H2,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.873 kcal/mol

Physical Properties
Molecular Weight: 270.183 g/mol	logS: -3.47648	SlogP: 3.4523	Reactive groups: 0

Topological Properties
Globularity: 0.0882558	Sterimol/B1: 2.72811	Sterimol/B2: 3.67614	Sterimol/B3: 4.40915
Sterimol/B4: 5.39281	Sterimol/L: 14.7798

Surface and Volume Properties
Accessible surface: 475.844	Positive charged surface: 299.213	Negative charged surface: 176.631	Volume: 250.5
Hydrophobic surface: 451.728	Hydrophilic surface: 24.116

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.