MMsINC Database Search


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

MMsINC code: MMs02032247

Type: Neutral
Formula: C₁₅H₂₀FN₃O₃

SMILES:

Fc1ccccc1NC(=O)C(=O)NCCCN1CCOCC1

InChI:

InChI=1/C15H20FN3O3/c16-12-4-1-2-5-13(12)18-15(21)14(20)17-6-3-7-19-8-10-22-11-9-19/h1-2,4-5H,3,6-11H2,(H,17,20)(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.168 kcal/mol

Physical Properties
Molecular Weight: 309.341 g/mol	logS: -2.44566	SlogP: 0.6027	Reactive groups: 0

Topological Properties
Globularity: 0.0250865	Sterimol/B1: 2.30454	Sterimol/B2: 2.44775	Sterimol/B3: 3.97552
Sterimol/B4: 5.70873	Sterimol/L: 19.3303

Surface and Volume Properties
Accessible surface: 570.206	Positive charged surface: 407.729	Negative charged surface: 162.477	Volume: 287.25
Hydrophobic surface: 460.072	Hydrophilic surface: 110.134

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs02032248
IFLAB-ZINC04269294