MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00715599

Type: Neutral
Formula: C₁₁H₂₃NO₂

SMILES:

O(CC)C(=O)NCC(CCCC)CC

InChI:

InChI=1/C11H23NO2/c1-4-7-8-10(5-2)9-12-11(13)14-6-3/h10H,4-9H2,1-3H3,(H,12,13)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.29399 kcal/mol

Physical Properties
Molecular Weight: 201.31 g/mol	logS: -2.95877	SlogP: 2.9489	Reactive groups: 0

Topological Properties
Globularity: 0.0566398	Sterimol/B1: 2.47273	Sterimol/B2: 2.72696	Sterimol/B3: 3.77725
Sterimol/B4: 5.11358	Sterimol/L: 16.9983

Surface and Volume Properties
Accessible surface: 483.138	Positive charged surface: 365.165	Negative charged surface: 117.973	Volume: 225.875
Hydrophobic surface: 358.238	Hydrophilic surface: 124.9

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.