MMsINC Database Search


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MMsINC code: MMs01677699

Type: Neutral
Formula: C₁₃H₁₁FN₂O₃

SMILES:

Fc1ccc(NC(=O)COC(=O)c2[nH]ccc2)cc1

InChI:

InChI=1/C13H11FN2O3/c14-9-3-5-10(6-4-9)16-12(17)8-19-13(18)11-2-1-7-15-11/h1-7,15H,8H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6869 kcal/mol

Physical Properties
Molecular Weight: 262.24 g/mol	logS: -2.65416	SlogP: 1.9493	Reactive groups: 0

Topological Properties
Globularity: 0.0138655	Sterimol/B1: 2.50256	Sterimol/B2: 2.89898	Sterimol/B3: 3.61516
Sterimol/B4: 4.46652	Sterimol/L: 16.875

Surface and Volume Properties
Accessible surface: 490.241	Positive charged surface: 259.939	Negative charged surface: 230.302	Volume: 231.625
Hydrophobic surface: 346.34	Hydrophilic surface: 143.901

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.