MMsINC Database Search


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MMsINC code: MMs02322863

Type: Neutral
Formula: C₁₁H₁₈N+

SMILES:

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

InChI:

InChI=1/C11H18N/c1-4-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3614 kcal/mol

Physical Properties
Molecular Weight: 164.272 g/mol	logS: -1.45316	SlogP: 2.5493	Reactive groups: 0

Topological Properties
Globularity: 0.137218	Sterimol/B1: 2.54946	Sterimol/B2: 3.61765	Sterimol/B3: 3.6185
Sterimol/B4: 3.76633	Sterimol/L: 12.2835

Surface and Volume Properties
Accessible surface: 375.833	Positive charged surface: 278.172	Negative charged surface: 97.6606	Volume: 192.75
Hydrophobic surface: 314.174	Hydrophilic surface: 61.659

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.