MMsINC Database Search


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

MMsINC code: MMs01084961

Type: Neutral
Formula: C₁₁H₂₀N₂O₂

SMILES:

O=C(N1CCCCC1)C(NC(=O)C)CC

InChI:

InChI=1/C11H20N2O2/c1-3-10(12-9(2)14)11(15)13-7-5-4-6-8-13/h10H,3-8H2,1-2H3,(H,12,14)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.5067 kcal/mol

Physical Properties
Molecular Weight: 212.293 g/mol	logS: -1.12018	SlogP: 0.9136	Reactive groups: 0

Topological Properties
Globularity: 0.140278	Sterimol/B1: 2.3862	Sterimol/B2: 3.22499	Sterimol/B3: 3.75448
Sterimol/B4: 5.95209	Sterimol/L: 12.7487

Surface and Volume Properties
Accessible surface: 439.77	Positive charged surface: 321.63	Negative charged surface: 118.14	Volume: 220.625
Hydrophobic surface: 353.894	Hydrophilic surface: 85.876

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.