MMsINC Database Search


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MMsINC code: MMs02793881

Type: Neutral
Formula: C₁₅H₁₃FN₂O₄

SMILES:

Fc1ccccc1NC(=O)COc1cc(C)c([N+](=O)[O-])cc1

InChI:

InChI=1/C15H13FN2O4/c1-10-8-11(6-7-14(10)18(20)21)22-9-15(19)17-13-5-3-2-4-12(13)16/h2-8H,9H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.037 kcal/mol

Physical Properties
Molecular Weight: 304.277 g/mol	logS: -4.67737	SlogP: 3.05982	Reactive groups: 0

Topological Properties
Globularity: 0.0112774	Sterimol/B1: 2.41724	Sterimol/B2: 2.54262	Sterimol/B3: 3.02118
Sterimol/B4: 5.85948	Sterimol/L: 17.7919

Surface and Volume Properties
Accessible surface: 529.55	Positive charged surface: 261.481	Negative charged surface: 268.069	Volume: 266
Hydrophobic surface: 406.059	Hydrophilic surface: 123.491

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.