MMsINC Database Search


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MMsINC code: MMs02340308

Type: Neutral
Formula: C₁₉H₁₈ClN₂+

SMILES:

Clc1ccc(cc1)CN(Cc1ccccc1)c1[nH+]cccc1

InChI:

InChI=1/C19H17ClN2/c20-18-11-9-17(10-12-18)15-22(19-8-4-5-13-21-19)14-16-6-2-1-3-7-16/h1-13H,14-15H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1658 kcal/mol

Physical Properties
Molecular Weight: 309.82 g/mol	logS: -4.61111	SlogP: 4.8937	Reactive groups: 0

Topological Properties
Globularity: 0.163936	Sterimol/B1: 2.65262	Sterimol/B2: 3.49547	Sterimol/B3: 4.59188
Sterimol/B4: 7.50194	Sterimol/L: 16.2093

Surface and Volume Properties
Accessible surface: 558.747	Positive charged surface: 309.026	Negative charged surface: 249.721	Volume: 312
Hydrophobic surface: 528.756	Hydrophilic surface: 29.991

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

MMs02340309
NCID-ZINC01713941