MMsINC Database Search


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

MMsINC code: MMs00000375

Type: Neutral
Formula: C₁₀H₂₁NO₂

SMILES:

OC(=O)C(N)(CCCC)CCCC

InChI:

InChI=1/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.8869 kcal/mol

Physical Properties
Molecular Weight: 187.283 g/mol	logS: -2.39658	SlogP: 2.1489	Reactive groups: 0

Topological Properties
Globularity: 0.0797414	Sterimol/B1: 3.20995	Sterimol/B2: 3.41151	Sterimol/B3: 3.47839
Sterimol/B4: 4.64699	Sterimol/L: 14.739

Surface and Volume Properties
Accessible surface: 431.003	Positive charged surface: 321.847	Negative charged surface: 109.156	Volume: 205.75
Hydrophobic surface: 275.525	Hydrophilic surface: 155.478

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.