MMsINC Database Search


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

MMsINC code: MMs00843196

Type: Neutral
Formula: C₁₈H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C1N(C2CCCCC2)C(=O)CC1

InChI:

InChI=1/C18H23FN2O2/c19-14-8-6-13(7-9-14)12-20-18(23)16-10-11-17(22)21(16)15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-12H2,(H,20,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.3551 kcal/mol

Physical Properties
Molecular Weight: 318.392 g/mol	logS: -3.59624	SlogP: 3.032	Reactive groups: 0

Topological Properties
Globularity: 0.0821228	Sterimol/B1: 2.66106	Sterimol/B2: 4.03989	Sterimol/B3: 4.77959
Sterimol/B4: 5.58798	Sterimol/L: 16.6472

Surface and Volume Properties
Accessible surface: 567.418	Positive charged surface: 383.835	Negative charged surface: 183.583	Volume: 309.375
Hydrophobic surface: 511.687	Hydrophilic surface: 55.731

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.