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MMsINC code: MMs02312403

Type: Neutral
Formula: C₁₀H₂₃N₂O₂+

SMILES:

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

InChI:

InChI=1/C10H23N2O2/c1-11(2)7-6-10(13)14-9-8-12(3,4)5/h6-9H2,1-5H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7149 kcal/mol

Physical Properties
Molecular Weight: 203.306 g/mol	logS: 0.45397	SlogP: 0.1875	Reactive groups: 1

Topological Properties
Globularity: 0.0760862	Sterimol/B1: 2.14636	Sterimol/B2: 2.98931	Sterimol/B3: 4.07092
Sterimol/B4: 4.8301	Sterimol/L: 14.5703

Surface and Volume Properties
Accessible surface: 454.595	Positive charged surface: 426.548	Negative charged surface: 28.0472	Volume: 224.375
Hydrophobic surface: 368.926	Hydrophilic surface: 85.669

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02312404
NCID-ZINC01677408