MMsINC Database Search


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MMsINC code: MMs01348676

Type: Neutral
Formula: C₁₆H₁₃F₂NO₅

SMILES:

FC(F)Oc1ccccc1NC(=O)COC(=O)c1ccccc1O

InChI:

InChI=1/C16H13F2NO5/c17-16(18)24-13-8-4-2-6-11(13)19-14(21)9-23-15(22)10-5-1-3-7-12(10)20/h1-8,16,20H,9H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.223 kcal/mol

Physical Properties
Molecular Weight: 337.278 g/mol	logS: -3.53534	SlogP: 3.209	Reactive groups: 0

Topological Properties
Globularity: 0.0200114	Sterimol/B1: 2.83378	Sterimol/B2: 3.25031	Sterimol/B3: 3.69053
Sterimol/B4: 6.43324	Sterimol/L: 17.0434

Surface and Volume Properties
Accessible surface: 561.331	Positive charged surface: 309.669	Negative charged surface: 251.662	Volume: 284.125
Hydrophobic surface: 364.587	Hydrophilic surface: 196.744

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.