MMsINC Database Search


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

MMsINC code: MMs00715077

Type: Neutral
Formula: C₁₅H₂₂FNO

SMILES:

Fc1ccc(cc1)CNC(=O)C(CCCC)CC

InChI:

InChI=1/C15H22FNO/c1-3-5-6-13(4-2)15(18)17-11-12-7-9-14(16)10-8-12/h7-10,13H,3-6,11H2,1-2H3,(H,17,18)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.7746 kcal/mol

Physical Properties
Molecular Weight: 251.345 g/mol	logS: -4.29777	SlogP: 3.9247	Reactive groups: 0

Topological Properties
Globularity: 0.0680706	Sterimol/B1: 2.26112	Sterimol/B2: 3.28325	Sterimol/B3: 3.66408
Sterimol/B4: 8.05566	Sterimol/L: 16.313

Surface and Volume Properties
Accessible surface: 535.626	Positive charged surface: 353.149	Negative charged surface: 182.477	Volume: 266
Hydrophobic surface: 456.242	Hydrophilic surface: 79.384

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