MMsINC Database Search


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MMsINC code: MMs02841358

Type: Neutral
Formula: C₁₀H₂₃N₂O₂+

SMILES:

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

InChI:

InChI=1/C10H23N2O2/c1-6-11(7-2)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)=36.4704 kcal/mol

Physical Properties
Molecular Weight: 203.306 g/mol	logS: -0.15587	SlogP: 1.171	Reactive groups: 0

Topological Properties
Globularity: 0.108243	Sterimol/B1: 2.86921	Sterimol/B2: 3.02405	Sterimol/B3: 3.8423
Sterimol/B4: 5.76869	Sterimol/L: 13.1896

Surface and Volume Properties
Accessible surface: 436.024	Positive charged surface: 374.991	Negative charged surface: 61.0335	Volume: 224.375
Hydrophobic surface: 323.824	Hydrophilic surface: 112.2

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.