MMsINC Database Search


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MMsINC code: MMs01714203

Type: Neutral
Formula: C₁₆H₁₄F₂N₂O₃

SMILES:

Fc1cc(F)ccc1NC(=O)Nc1ccc(cc1)C(OCC)=O

InChI:

InChI=1/C16H14F2N2O3/c1-2-23-15(21)10-3-6-12(7-4-10)19-16(22)20-14-8-5-11(17)9-13(14)18/h3-9H,2H2,1H3,(H2,19,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2271 kcal/mol

Physical Properties
Molecular Weight: 320.295 g/mol	logS: -4.55095	SlogP: 3.7855	Reactive groups: 0

Topological Properties
Globularity: 0.0241699	Sterimol/B1: 2.54127	Sterimol/B2: 3.80299	Sterimol/B3: 3.89416
Sterimol/B4: 4.18435	Sterimol/L: 19.2662

Surface and Volume Properties
Accessible surface: 567.583	Positive charged surface: 324.52	Negative charged surface: 243.063	Volume: 278.625
Hydrophobic surface: 447.417	Hydrophilic surface: 120.166

Pharmacophoric Properties
Hydrogen bond donors: 2	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.