MMsINC Database Search


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

MMsINC code: MMs01607727

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1cc(ccc1)CN1C(=O)C(NC1=O)(Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C23H19FN2O2/c24-20-13-7-10-18(14-20)16-26-21(27)23(25-22(26)28,19-11-5-2-6-12-19)15-17-8-3-1-4-9-17/h1-14H,15-16H2,(H,25,28)/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3667 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -5.69464	SlogP: 4.59357	Reactive groups: 0

Topological Properties
Globularity: 0.177929	Sterimol/B1: 2.42731	Sterimol/B2: 4.03736	Sterimol/B3: 4.73473
Sterimol/B4: 7.04618	Sterimol/L: 15.5501

Surface and Volume Properties
Accessible surface: 554.418	Positive charged surface: 298.348	Negative charged surface: 256.07	Volume: 354.5
Hydrophobic surface: 482.904	Hydrophilic surface: 71.514

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.