MMsINC Database Search


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

MMsINC code: MMs01170174

Type: Neutral
Formula: C₂₃H₁₈FN₃O

SMILES:

Fc1ccc(cc1)-c1nn(c(c1)C(=O)NCc1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H18FN3O/c24-19-13-11-18(12-14-19)21-15-22(27(26-21)20-9-5-2-6-10-20)23(28)25-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6425 kcal/mol

Physical Properties
Molecular Weight: 371.415 g/mol	logS: -6.2959	SlogP: 4.8748	Reactive groups: 0

Topological Properties
Globularity: 0.057234	Sterimol/B1: 3.61307	Sterimol/B2: 3.67825	Sterimol/B3: 5.65608
Sterimol/B4: 9.46539	Sterimol/L: 16.1456

Surface and Volume Properties
Accessible surface: 658.456	Positive charged surface: 344.836	Negative charged surface: 313.62	Volume: 358.25
Hydrophobic surface: 606.339	Hydrophilic surface: 52.117

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.