MMsINC Database Search


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MMsINC code: MMs02253661

Type: Neutral
Formula: C₆H₇FN₂O₂

SMILES:

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

InChI:

InChI=1/C6H7FN2O2/c1-2-9-3-4(7)5(10)8-6(9)11/h3H,2H2,1H3,(H,8,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.40603 kcal/mol

Physical Properties
Molecular Weight: 158.132 g/mol	logS: -1.02351	SlogP: 0.4779	Reactive groups: 0

Topological Properties
Globularity: 0.105479	Sterimol/B1: 2.07028	Sterimol/B2: 3.38248	Sterimol/B3: 3.73272
Sterimol/B4: 4.02055	Sterimol/L: 10.3748

Surface and Volume Properties
Accessible surface: 308.351	Positive charged surface: 173.643	Negative charged surface: 134.707	Volume: 130.375
Hydrophobic surface: 167.317	Hydrophilic surface: 141.034

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.