MMsINC Database Search


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MMsINC code: MMs00008792

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

[nH]1c2c(cc(cc2)C)cc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.891 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -2.46209	SlogP: 2.78474	Reactive groups: 0

Topological Properties
Globularity: 0.0188046	Sterimol/B1: 2.10412	Sterimol/B2: 2.51232	Sterimol/B3: 2.99615
Sterimol/B4: 4.97542	Sterimol/L: 11.6019

Surface and Volume Properties
Accessible surface: 354.522	Positive charged surface: 210.537	Negative charged surface: 138.357	Volume: 159.5
Hydrophobic surface: 324.659	Hydrophilic surface: 29.863

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.