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MMsINC code: MMs02956333

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂

SMILES:

Clc1cc(Cl)ccc1CCNCc1cccnc1

InChI:

InChI=1/C14H14Cl2N2/c15-13-4-3-12(14(16)8-13)5-7-18-10-11-2-1-6-17-9-11/h1-4,6,8-9,18H,5,7,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.1962 kcal/mol

Physical Properties
Molecular Weight: 281.186 g/mol	logS: -3.16519	SlogP: 3.98707	Reactive groups: 0

Topological Properties
Globularity: 0.0357394	Sterimol/B1: 2.72968	Sterimol/B2: 3.13499	Sterimol/B3: 3.20414
Sterimol/B4: 5.62357	Sterimol/L: 17.5065

Surface and Volume Properties
Accessible surface: 516.297	Positive charged surface: 280.063	Negative charged surface: 236.234	Volume: 261.875
Hydrophobic surface: 479.089	Hydrophilic surface: 37.208

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02956334
PUBCHEM-ZINC02900494