MMsINC Database Search


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MMsINC code: MMs02067773

Type: Neutral
Formula: C₁₉H₁₅FN₂O₂

SMILES:

Fc1cc(NC(=O)C=2C=CC(=O)N(C=2)Cc2ccccc2)ccc1

InChI:

InChI=1/C19H15FN2O2/c20-16-7-4-8-17(11-16)21-19(24)15-9-10-18(23)22(13-15)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3393 kcal/mol

Physical Properties
Molecular Weight: 322.339 g/mol	logS: -4.65325	SlogP: 3.5131	Reactive groups: 0

Topological Properties
Globularity: 0.0480029	Sterimol/B1: 2.17635	Sterimol/B2: 2.98709	Sterimol/B3: 4.95769
Sterimol/B4: 7.3056	Sterimol/L: 16.5103

Surface and Volume Properties
Accessible surface: 567.106	Positive charged surface: 293.132	Negative charged surface: 273.974	Volume: 301.75
Hydrophobic surface: 487.455	Hydrophilic surface: 79.651

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

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Ions/Tautomers related molecules: no related molecules available.