MMsINC Database Search


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MMsINC code: MMs00226571

Type: Neutral
Formula: C₁₀H₁₀N+

SMILES:

[n+]1(cc2c(cccc2)cc1)C

InChI:

InChI=1/C10H10N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.41 kcal/mol

Physical Properties
Molecular Weight: 144.197 g/mol	logS: -1.87424	SlogP: 2.0235	Reactive groups: 0

Topological Properties
Globularity: 0.0126866	Sterimol/B1: 2.10211	Sterimol/B2: 2.51313	Sterimol/B3: 3.56155
Sterimol/B4: 4.76859	Sterimol/L: 10.9413

Surface and Volume Properties
Accessible surface: 339.291	Positive charged surface: 238.814	Negative charged surface: 89.8559	Volume: 156.625
Hydrophobic surface: 282.414	Hydrophilic surface: 56.877

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.