MMsINC Database Search


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

MMsINC code: MMs03276765

Type: Neutral
Formula: C₁₅H₂₀FNO

SMILES:

Fc1ccc(cc1)\C=C\C(=O)NCCCCCC

InChI:

InChI=1/C15H20FNO/c1-2-3-4-5-12-17-15(18)11-8-13-6-9-14(16)10-7-13/h6-11H,2-5,12H2,1H3,(H,17,18)/b11-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.5394 kcal/mol

Physical Properties
Molecular Weight: 249.329 g/mol	logS: -4.40645	SlogP: 3.5354	Reactive groups: 0

Topological Properties
Globularity: 0.0096405	Sterimol/B1: 2.37524	Sterimol/B2: 2.37661	Sterimol/B3: 3.48924
Sterimol/B4: 4.70693	Sterimol/L: 19.8467

Surface and Volume Properties
Accessible surface: 540.735	Positive charged surface: 341.652	Negative charged surface: 199.082	Volume: 261.375
Hydrophobic surface: 464.047	Hydrophilic surface: 76.688

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.