MMsINC Database Search


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

MMsINC code: MMs02997490

Type: Neutral
Formula: C₁₇H₂₄FNO

SMILES:

Fc1ccc(NC(=O)CCCCCCCCC=C)cc1

InChI:

InChI=1/C17H24FNO/c1-2-3-4-5-6-7-8-9-10-17(20)19-16-13-11-15(18)12-14-16/h2,11-14H,1,3-10H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9136 kcal/mol

Physical Properties
Molecular Weight: 277.383 g/mol	logS: -5.86024	SlogP: 5.071	Reactive groups: 0

Topological Properties
Globularity: 0.0153899	Sterimol/B1: 2.4019	Sterimol/B2: 3.47342	Sterimol/B3: 3.82091
Sterimol/B4: 4.00362	Sterimol/L: 22.0491

Surface and Volume Properties
Accessible surface: 603.053	Positive charged surface: 401.456	Negative charged surface: 201.597	Volume: 296.875
Hydrophobic surface: 507.54	Hydrophilic surface: 95.513

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.