MMsINC Database Search


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MMsINC code: MMs02320683

Type: Neutral
Formula: C₉H₁₀FNO

SMILES:

Fc1cc(NC(=O)C)ccc1C

InChI:

InChI=1/C9H10FNO/c1-6-3-4-8(5-9(6)10)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)=32.1973 kcal/mol

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

Topological Properties
Globularity: 0.0260861	Sterimol/B1: 2.4853	Sterimol/B2: 2.53519	Sterimol/B3: 3.31302
Sterimol/B4: 4.24997	Sterimol/L: 11.8742

Surface and Volume Properties
Accessible surface: 364.501	Positive charged surface: 208.739	Negative charged surface: 155.761	Volume: 160.375
Hydrophobic surface: 311.718	Hydrophilic surface: 52.783

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.