MMsINC Database Search


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MMsINC code: MMs01414950

Type: Neutral
Formula: C₁₆H₁₃F₂NO₃

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccccc2F)ccc1C

InChI:

InChI=1/C16H13F2NO3/c1-10-6-7-11(8-14(10)18)19-15(20)9-22-16(21)12-4-2-3-5-13(12)17/h2-8H,9H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4825 kcal/mol

Physical Properties
Molecular Weight: 305.28 g/mol	logS: -4.51347	SlogP: 3.06872	Reactive groups: 0

Topological Properties
Globularity: 0.0130041	Sterimol/B1: 2.59323	Sterimol/B2: 2.75067	Sterimol/B3: 3.17274
Sterimol/B4: 5.37587	Sterimol/L: 17.8332

Surface and Volume Properties
Accessible surface: 542.838	Positive charged surface: 298.527	Negative charged surface: 244.311	Volume: 268
Hydrophobic surface: 461.281	Hydrophilic surface: 81.557

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.