MMsINC Database Search


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MMsINC code: MMs01473005

Type: Neutral
Formula: C₁₇H₁₅F₂NO₅

SMILES:

FC(F)Oc1ccc(NC(=O)COC(=O)c2ccc(cc2O)C)cc1

InChI:

InChI=1/C17H15F2NO5/c1-10-2-7-13(14(21)8-10)16(23)24-9-15(22)20-11-3-5-12(6-4-11)25-17(18)19/h2-8,17,21H,9H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.735 kcal/mol

Physical Properties
Molecular Weight: 351.305 g/mol	logS: -4.00926	SlogP: 3.51742	Reactive groups: 0

Topological Properties
Globularity: 0.0141201	Sterimol/B1: 2.42529	Sterimol/B2: 3.04061	Sterimol/B3: 3.24279
Sterimol/B4: 6.16714	Sterimol/L: 19.9678

Surface and Volume Properties
Accessible surface: 595.198	Positive charged surface: 338.118	Negative charged surface: 257.08	Volume: 300.5
Hydrophobic surface: 386.854	Hydrophilic surface: 208.344

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.