MMsINC Database Search


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

MMsINC code: MMs01281623

Type: Neutral
Formula: C₂₅H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)CN(C(=O)C(c1ccccc1)c1ccccc1)CC

InChI:

InChI=1/C25H25FN2O2/c1-2-28(18-23(29)27-17-19-13-15-22(26)16-14-19)25(30)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,24H,2,17-18H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.105 kcal/mol

Physical Properties
Molecular Weight: 404.485 g/mol	logS: -5.69161	SlogP: 4.3889	Reactive groups: 0

Topological Properties
Globularity: 0.227387	Sterimol/B1: 2.42695	Sterimol/B2: 3.47079	Sterimol/B3: 7.18272
Sterimol/B4: 9.87014	Sterimol/L: 17.3255

Surface and Volume Properties
Accessible surface: 703.589	Positive charged surface: 405.417	Negative charged surface: 298.172	Volume: 399.875
Hydrophobic surface: 624.139	Hydrophilic surface: 79.45

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.