MMsINC Database Search


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MMsINC code: MMs00008472

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

[nH]1c2c(cccc2)c(C)c1C

InChI:

InChI=1/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.6044 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -2.14864	SlogP: 2.78474	Reactive groups: 0

Topological Properties
Globularity: 0.025749	Sterimol/B1: 2.25122	Sterimol/B2: 2.51199	Sterimol/B3: 2.52114
Sterimol/B4: 5.83682	Sterimol/L: 10.5865

Surface and Volume Properties
Accessible surface: 350.453	Positive charged surface: 205.655	Negative charged surface: 138.992	Volume: 162.25
Hydrophobic surface: 321.062	Hydrophilic surface: 29.391

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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: no related molecules available.