MMsINC Database Search


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MMsINC code: MMs00228843

Type: Neutral
Formula: C₁₀H₁₄N+

SMILES:

[N+]1(Cc2c(C1)cccc2)(C)C

InChI:

InChI=1/C10H14N/c1-11(2)7-9-5-3-4-6-10(9)8-11/h3-6H,7-8H2,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9954 kcal/mol

Physical Properties
Molecular Weight: 148.229 g/mol	logS: -1.24835	SlogP: 2.3094	Reactive groups: 0

Topological Properties
Globularity: 0.164197	Sterimol/B1: 2.05451	Sterimol/B2: 3.94556	Sterimol/B3: 3.94925
Sterimol/B4: 4.77463	Sterimol/L: 10.3849

Surface and Volume Properties
Accessible surface: 350.604	Positive charged surface: 272.93	Negative charged surface: 77.674	Volume: 167.25
Hydrophobic surface: 304.957	Hydrophilic surface: 45.647

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.