MMsINC Database Search


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MMsINC code: MMs00550198

Type: Neutral
Formula: C₉H₉FN₂O₂

SMILES:

Fc1cc(NC(=O)C(=O)NC)ccc1

InChI:

InChI=1/C9H9FN2O2/c1-11-8(13)9(14)12-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,13)(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1022 kcal/mol

Physical Properties
Molecular Weight: 196.181 g/mol	logS: -2.05452	SlogP: 0.5102	Reactive groups: 0

Topological Properties
Globularity: 0.0180424	Sterimol/B1: 2.36078	Sterimol/B2: 2.55348	Sterimol/B3: 3.92954
Sterimol/B4: 4.06497	Sterimol/L: 13.4326

Surface and Volume Properties
Accessible surface: 389.804	Positive charged surface: 238.871	Negative charged surface: 150.934	Volume: 171.75
Hydrophobic surface: 284.27	Hydrophilic surface: 105.534

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.