MMsINC Database Search


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MMsINC code: MMs00581031

Type: Neutral
Formula: C₁₀H₁₂FNO₂

SMILES:

FCCOc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C10H12FNO2/c1-8(13)12-9-2-4-10(5-3-9)14-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6578 kcal/mol

Physical Properties
Molecular Weight: 197.209 g/mol	logS: -1.9684	SlogP: 1.9933	Reactive groups: 1

Topological Properties
Globularity: 0.0230426	Sterimol/B1: 2.38941	Sterimol/B2: 2.75542	Sterimol/B3: 3.64451
Sterimol/B4: 4.03551	Sterimol/L: 14.3659

Surface and Volume Properties
Accessible surface: 410.836	Positive charged surface: 258.533	Negative charged surface: 152.303	Volume: 184.5
Hydrophobic surface: 315.896	Hydrophilic surface: 94.94

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.