MMsINC Database Search


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MMsINC code: MMs02109834

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

N(C(C)(C)C)c1ccccc1

InChI:

InChI=1/C10H15N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8,11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2051 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -2.16297	SlogP: 2.897	Reactive groups: 0

Topological Properties
Globularity: 0.140064	Sterimol/B1: 2.39469	Sterimol/B2: 2.9888	Sterimol/B3: 4.83387
Sterimol/B4: 4.83958	Sterimol/L: 11.1718

Surface and Volume Properties
Accessible surface: 359.147	Positive charged surface: 229.018	Negative charged surface: 130.129	Volume: 171.375
Hydrophobic surface: 293.293	Hydrophilic surface: 65.854

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.