MMsINC Database Search


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

MMsINC code: MMs03202009

Type: Neutral
Formula: C₆H₁₃FN₂O₂

SMILES:

FCC(N)(CCCN)C(O)=O

InChI:

InChI=1/C6H13FN2O2/c7-4-6(9,5(10)11)2-1-3-8/h1-4,8-9H2,(H,10,11)/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.1244 kcal/mol

Physical Properties
Molecular Weight: 164.18 g/mol	logS: 0.30367	SlogP: -0.5231	Reactive groups: 1

Topological Properties
Globularity: 0.176528	Sterimol/B1: 3.32555	Sterimol/B2: 3.40466	Sterimol/B3: 3.55723
Sterimol/B4: 3.67701	Sterimol/L: 11.4852

Surface and Volume Properties
Accessible surface: 349.829	Positive charged surface: 252.911	Negative charged surface: 96.9181	Volume: 149.625
Hydrophobic surface: 125.893	Hydrophilic surface: 223.936

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.