MMsINC Database Search


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MMsINC code: MMs01250239

Type: Neutral
Formula: C₂₃H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)N1CCN2C1(c1c(cccc1)C2=O)c1ccccc1

InChI:

InChI=1/C23H17FN2O2/c24-18-12-10-16(11-13-18)21(27)25-14-15-26-22(28)19-8-4-5-9-20(19)23(25,26)17-6-2-1-3-7-17/h1-13H,14-15H2/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.628 kcal/mol

Physical Properties
Molecular Weight: 372.399 g/mol	logS: -5.64958	SlogP: 3.9501	Reactive groups: 0

Topological Properties
Globularity: 0.295966	Sterimol/B1: 2.27852	Sterimol/B2: 2.80297	Sterimol/B3: 6.74205
Sterimol/B4: 9.36452	Sterimol/L: 14.1537

Surface and Volume Properties
Accessible surface: 578.872	Positive charged surface: 306.33	Negative charged surface: 272.542	Volume: 342.375
Hydrophobic surface: 531.223	Hydrophilic surface: 47.649

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.