MMsINC Database Search


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

MMsINC code: MMs01628753

Type: Neutral
Formula: C₂₃H₁₈FN₃O₂

SMILES:

Fc1ccccc1CNC(=O)C1=NN(Cc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C23H18FN3O2/c24-20-13-7-4-10-17(20)14-25-22(28)21-18-11-5-6-12-19(18)23(29)27(26-21)15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.745 kcal/mol

Physical Properties
Molecular Weight: 387.414 g/mol	logS: -6.08881	SlogP: 4.035	Reactive groups: 0

Topological Properties
Globularity: 0.105256	Sterimol/B1: 2.23101	Sterimol/B2: 2.33514	Sterimol/B3: 5.28357
Sterimol/B4: 11.1834	Sterimol/L: 15.2454

Surface and Volume Properties
Accessible surface: 651.868	Positive charged surface: 358.258	Negative charged surface: 293.609	Volume: 365.375
Hydrophobic surface: 571.86	Hydrophilic surface: 80.008

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.