MMsINC Database Search


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MMsINC code: MMs00739653

Type: Neutral
Formula: C₁₁H₁₃FN₂O₃

SMILES:

Fc1ccc(NC(=O)C(=O)NCCOC)cc1

InChI:

InChI=1/C11H13FN2O3/c1-17-7-6-13-10(15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2315 kcal/mol

Physical Properties
Molecular Weight: 240.234 g/mol	logS: -2.19716	SlogP: 0.5268	Reactive groups: 0

Topological Properties
Globularity: 0.0366583	Sterimol/B1: 2.42383	Sterimol/B2: 2.47924	Sterimol/B3: 3.64213
Sterimol/B4: 5.62229	Sterimol/L: 15.8357

Surface and Volume Properties
Accessible surface: 474.573	Positive charged surface: 317.182	Negative charged surface: 157.392	Volume: 217.125
Hydrophobic surface: 370.528	Hydrophilic surface: 104.045

Pharmacophoric Properties
Hydrogen bond donors: 2	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.