MMsINC Database Search


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

MMsINC code: MMs02802681

Type: Neutral
Formula: C₁₈H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(C(C(=O)NC2CCCC2)(C)C)C(=O)C1

InChI:

InChI=1/C18H23FN2O2/c1-18(2,17(23)20-14-5-3-4-6-14)21-15(11-16(21)22)12-7-9-13(19)10-8-12/h7-10,14-15H,3-6,11H2,1-2H3,(H,20,23)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4994 kcal/mol

Physical Properties
Molecular Weight: 318.392 g/mol	logS: -3.53367	SlogP: 3.032	Reactive groups: 0

Topological Properties
Globularity: 0.150864	Sterimol/B1: 2.13403	Sterimol/B2: 3.93178	Sterimol/B3: 4.90434
Sterimol/B4: 6.2987	Sterimol/L: 15.8108

Surface and Volume Properties
Accessible surface: 551.264	Positive charged surface: 308.004	Negative charged surface: 200.219	Volume: 312.75
Hydrophobic surface: 467.552	Hydrophilic surface: 83.712

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.