MMsINC Database Search


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MMsINC code: MMs01720433

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CN1C(=O)C(NC1=O)(Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C23H19FN2O2/c24-20-13-11-18(12-14-20)16-26-21(27)23(25-22(26)28,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,28)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7515 kcal/mol

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

Topological Properties
Globularity: 0.1931	Sterimol/B1: 2.38947	Sterimol/B2: 3.79778	Sterimol/B3: 3.89306
Sterimol/B4: 9.36257	Sterimol/L: 14.5519

Surface and Volume Properties
Accessible surface: 597.519	Positive charged surface: 313.928	Negative charged surface: 283.591	Volume: 354.125
Hydrophobic surface: 537.241	Hydrophilic surface: 60.278

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

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Ions/Tautomers related molecules: no related molecules available.