MMsINC Database Search


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MMsINC code: MMs01228752

Type: Neutral
Formula: C₁₁H₁₃FN₂O₂

SMILES:

Fc1ccccc1C(NC(=O)C)NC(=O)C

InChI:

InChI=1/C11H13FN2O2/c1-7(15)13-11(14-8(2)16)9-5-3-4-6-10(9)12/h3-6,11H,1-2H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=0.760476 kcal/mol

Physical Properties
Molecular Weight: 224.235 g/mol	logS: -1.89401	SlogP: 1.192	Reactive groups: 0

Topological Properties
Globularity: 0.079842	Sterimol/B1: 2.21728	Sterimol/B2: 2.34101	Sterimol/B3: 3.58672
Sterimol/B4: 8.64592	Sterimol/L: 11.4636

Surface and Volume Properties
Accessible surface: 434.029	Positive charged surface: 246.758	Negative charged surface: 187.271	Volume: 209.125
Hydrophobic surface: 349.143	Hydrophilic surface: 84.886

Pharmacophoric Properties
Hydrogen bond donors: 2	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.