MMsINC Database Search


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MMsINC code: MMs00226570

Type: Neutral
Formula: C₁₀H₁₀N+

SMILES:

[n+]1(c2c(cccc2)ccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.693 kcal/mol

Physical Properties
Molecular Weight: 144.197 g/mol	logS: -1.84304	SlogP: 2.0235	Reactive groups: 0

Topological Properties
Globularity: 0.0179269	Sterimol/B1: 2.10298	Sterimol/B2: 2.27191	Sterimol/B3: 2.51319
Sterimol/B4: 6.24288	Sterimol/L: 9.95967

Surface and Volume Properties
Accessible surface: 333.363	Positive charged surface: 225.053	Negative charged surface: 103	Volume: 155.75
Hydrophobic surface: 286.623	Hydrophilic surface: 46.74

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.