MMsINC Database Search


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MMsINC code: MMs02281869

Type: Neutral
Formula: C₅H₅FN₂O₂

SMILES:

FC1=CN(C)C(=O)NC1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.72042 kcal/mol

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

Topological Properties
Globularity: 0.0314432	Sterimol/B1: 2.09891	Sterimol/B2: 2.51302	Sterimol/B3: 3.66756
Sterimol/B4: 4.02198	Sterimol/L: 9.10765

Surface and Volume Properties
Accessible surface: 287.31	Positive charged surface: 166.179	Negative charged surface: 121.131	Volume: 112
Hydrophobic surface: 161.291	Hydrophilic surface: 126.019

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.