MMsINC Database Search


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MMsINC code: MMs02108499

Type: Neutral
Formula: C₉H₁₀FNO

SMILES:

Fc1cccc(NC(=O)C)c1C

InChI:

InChI=1/C9H10FNO/c1-6-8(10)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4232 kcal/mol

Physical Properties
Molecular Weight: 167.183 g/mol	logS: -2.04978	SlogP: 2.09252	Reactive groups: 0

Topological Properties
Globularity: 0.0389318	Sterimol/B1: 2.02097	Sterimol/B2: 2.4809	Sterimol/B3: 2.49353
Sterimol/B4: 6.67762	Sterimol/L: 11.0593

Surface and Volume Properties
Accessible surface: 354.654	Positive charged surface: 199.634	Negative charged surface: 155.019	Volume: 159.75
Hydrophobic surface: 310.946	Hydrophilic surface: 43.708

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.