MMsINC Database Search


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MMsINC code: MMs00004505

Type: Neutral
Formula: C₈H₈FNO

SMILES:

Fc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.2391 kcal/mol

Physical Properties
Molecular Weight: 153.156 g/mol	logS: -1.88931	SlogP: 1.7841	Reactive groups: 0

Topological Properties
Globularity: 0.0265594	Sterimol/B1: 2.39038	Sterimol/B2: 2.46249	Sterimol/B3: 3.78867
Sterimol/B4: 3.8226	Sterimol/L: 11.3271

Surface and Volume Properties
Accessible surface: 331.744	Positive charged surface: 179.334	Negative charged surface: 152.41	Volume: 142.25
Hydrophobic surface: 279.151	Hydrophilic surface: 52.593

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.