MMsINC Database Search


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

MMsINC code: MMs00736412

Type: Neutral
Formula: C₁₃H₁₇FN₂O

SMILES:

Fc1ccccc1NC(=O)N1CCCCCC1

InChI:

InChI=1/C13H17FN2O/c14-11-7-3-4-8-12(11)15-13(17)16-9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-10H2,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1174 kcal/mol

Physical Properties
Molecular Weight: 236.29 g/mol	logS: -2.5731	SlogP: 3.2336	Reactive groups: 0

Topological Properties
Globularity: 0.0876231	Sterimol/B1: 2.7324	Sterimol/B2: 3.42238	Sterimol/B3: 3.60223
Sterimol/B4: 5.34331	Sterimol/L: 13.4066

Surface and Volume Properties
Accessible surface: 447.876	Positive charged surface: 299.605	Negative charged surface: 148.271	Volume: 225.75
Hydrophobic surface: 423.11	Hydrophilic surface: 24.766

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