MMsINC Database Search


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MMsINC code: MMs00009127

Type: Neutral
Formula: C₁₀H₁₆N+

SMILES:

[N+](Cc1ccccc1)(C)(C)C

InChI:

InChI=1/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0626 kcal/mol

Physical Properties
Molecular Weight: 150.245 g/mol	logS: -1.12595	SlogP: 2.1592	Reactive groups: 0

Topological Properties
Globularity: 0.161952	Sterimol/B1: 2.35085	Sterimol/B2: 2.41978	Sterimol/B3: 4.06609
Sterimol/B4: 4.81724	Sterimol/L: 11.013

Surface and Volume Properties
Accessible surface: 357.795	Positive charged surface: 282.32	Negative charged surface: 75.4757	Volume: 175.875
Hydrophobic surface: 299.995	Hydrophilic surface: 57.8

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.