MMsINC Database Search


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MMsINC code: MMs01050213

Type: Neutral
Formula: C₁₃H₁₃FN₂O₃

SMILES:

Fc1ccccc1-c1noc(c1)C(=O)NCCOC

InChI:

InChI=1/C13H13FN2O3/c1-18-7-6-15-13(17)12-8-11(16-19-12)9-4-2-3-5-10(9)14/h2-5,8H,6-7H2,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7751 kcal/mol

Physical Properties
Molecular Weight: 264.256 g/mol	logS: -3.16308	SlogP: 1.8569	Reactive groups: 0

Topological Properties
Globularity: 0.0128496	Sterimol/B1: 2.34302	Sterimol/B2: 2.38778	Sterimol/B3: 3.39006
Sterimol/B4: 5.64671	Sterimol/L: 17.3578

Surface and Volume Properties
Accessible surface: 502.437	Positive charged surface: 323.554	Negative charged surface: 178.883	Volume: 239.25
Hydrophobic surface: 413.316	Hydrophilic surface: 89.121

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.