MMsINC Database Search


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

MMsINC code: MMs00893463

Type: Neutral
Formula: C₂₃H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)-c1n(CC(=O)NCc2ccc(cc2)C)c(C)c(c1)C(=O)C

InChI:

InChI=1/C23H23FN2O2/c1-15-4-6-18(7-5-15)13-25-23(28)14-26-16(2)21(17(3)27)12-22(26)19-8-10-20(24)11-9-19/h4-12H,13-14H2,1-3H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2579 kcal/mol

Physical Properties
Molecular Weight: 378.447 g/mol	logS: -5.45232	SlogP: 4.96284	Reactive groups: 0

Topological Properties
Globularity: 0.0325509	Sterimol/B1: 2.84361	Sterimol/B2: 3.92892	Sterimol/B3: 5.18117
Sterimol/B4: 7.57506	Sterimol/L: 18.7912

Surface and Volume Properties
Accessible surface: 663.02	Positive charged surface: 374.197	Negative charged surface: 288.823	Volume: 371.875
Hydrophobic surface: 585.567	Hydrophilic surface: 77.453

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