MMsINC Database Search


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MMsINC code: MMs02814881

Type: Neutral
Formula: C₅H₅FN₂O₂

SMILES:

FC1=CNC(=O)N(C)C1=O

InChI:

InChI=1/C5H5FN2O2/c1-8-4(9)3(6)2-7-5(8)10/h2H,1H3,(H,7,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.262159 kcal/mol

Physical Properties
Molecular Weight: 144.105 g/mol	logS: -0.6963	SlogP: 0.0878	Reactive groups: 0

Topological Properties
Globularity: 0.031545	Sterimol/B1: 2.09849	Sterimol/B2: 2.51304	Sterimol/B3: 3.9036
Sterimol/B4: 4.02312	Sterimol/L: 8.72754

Surface and Volume Properties
Accessible surface: 287.611	Positive charged surface: 167.806	Negative charged surface: 119.805	Volume: 112.125
Hydrophobic surface: 170.641	Hydrophilic surface: 116.97

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.