MMsINC Database Search


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MMsINC code: MMs01540167

Type: Neutral
Formula: C₁₇H₁₅FN₂O₂

SMILES:

Fc1ccccc1CN1C(=O)C(NC1=O)(C)c1ccccc1

InChI:

InChI=1/C17H15FN2O2/c1-17(13-8-3-2-4-9-13)15(21)20(16(22)19-17)11-12-7-5-6-10-14(12)18/h2-10H,11H2,1H3,(H,19,22)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0834 kcal/mol

Physical Properties
Molecular Weight: 298.317 g/mol	logS: -4.19248	SlogP: 3.3708	Reactive groups: 0

Topological Properties
Globularity: 0.116016	Sterimol/B1: 2.11286	Sterimol/B2: 3.60211	Sterimol/B3: 4.71327
Sterimol/B4: 5.90317	Sterimol/L: 15.3556

Surface and Volume Properties
Accessible surface: 500.889	Positive charged surface: 275.116	Negative charged surface: 225.773	Volume: 276.125
Hydrophobic surface: 408.426	Hydrophilic surface: 92.463

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.