MMsINC Database Search


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MMsINC code: MMs02840763

Type: Neutral
Formula: C₁₁H₂₃N₂O₂+

SMILES:

O(CC[N+](C)(C)C)C(=O)N1CCCCC1

InChI:

InChI=1/C11H23N2O2/c1-13(2,3)9-10-15-11(14)12-7-5-4-6-8-12/h4-10H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.386 kcal/mol

Physical Properties
Molecular Weight: 215.317 g/mol	logS: -0.2556	SlogP: 1.3151	Reactive groups: 0

Topological Properties
Globularity: 0.104111	Sterimol/B1: 2.17385	Sterimol/B2: 4.05108	Sterimol/B3: 4.28997
Sterimol/B4: 4.93079	Sterimol/L: 13.0379

Surface and Volume Properties
Accessible surface: 441.658	Positive charged surface: 396.189	Negative charged surface: 45.4692	Volume: 230.625
Hydrophobic surface: 360.511	Hydrophilic surface: 81.147

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.