MMsINC Database Search


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MMsINC code: MMs02929195

Type: Neutral
Formula: C₁₀H₁₁F₂NO₃

SMILES:

FC(F)Oc1ccc(cc1OCC)C(=O)N

InChI:

InChI=1/C10H11F2NO3/c1-2-15-8-5-6(9(13)14)3-4-7(8)16-10(11)12/h3-5,10H,2H2,1H3,(H2,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0174 kcal/mol

Physical Properties
Molecular Weight: 231.198 g/mol	logS: -2.14884	SlogP: 2.2055	Reactive groups: 0

Topological Properties
Globularity: 0.0322241	Sterimol/B1: 2.63396	Sterimol/B2: 2.64313	Sterimol/B3: 4.193
Sterimol/B4: 7.00528	Sterimol/L: 11.6293

Surface and Volume Properties
Accessible surface: 419.697	Positive charged surface: 248.666	Negative charged surface: 171.031	Volume: 194.375
Hydrophobic surface: 201.824	Hydrophilic surface: 217.873

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.