MMsINC Database Search


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MMsINC code: MMs00007829

Type: Neutral
Formula: C₇H₆FNO

SMILES:

Fc1cc(ccc1)C(=O)N

InChI:

InChI=1/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.6996 kcal/mol

Physical Properties
Molecular Weight: 139.129 g/mol	logS: -1.93198	SlogP: 0.9246	Reactive groups: 0

Topological Properties
Globularity: 2.20393e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09863	Sterimol/B3: 2.81607
Sterimol/B4: 5.12799	Sterimol/L: 9.85488

Surface and Volume Properties
Accessible surface: 295.962	Positive charged surface: 146.518	Negative charged surface: 149.443	Volume: 125.25
Hydrophobic surface: 194.937	Hydrophilic surface: 101.025

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.