MMsINC Database Search


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MMsINC code: MMs00007859

Type: Neutral
Formula: C₇H₆FNO

SMILES:

Fc1ccc(cc1)C(=O)N

InChI:

InChI=1/C7H6FNO/c8-6-3-1-5(2-4-6)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)=21.934 kcal/mol

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

Topological Properties
Globularity: 1.88209e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09848	Sterimol/B3: 2.51775
Sterimol/B4: 5.17203	Sterimol/L: 10.1229

Surface and Volume Properties
Accessible surface: 293.022	Positive charged surface: 146.896	Negative charged surface: 146.125	Volume: 122.5
Hydrophobic surface: 193.044	Hydrophilic surface: 99.978

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.