MMsINC Database Search


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MMsINC code: MMs01482964

Type: Neutral
Formula: C₁₆H₁₂F₃NO₅

SMILES:

FC(F)(F)Oc1ccc(NC(=O)COC(=O)c2cc(O)ccc2)cc1

InChI:

InChI=1/C16H12F3NO5/c17-16(18,19)25-13-6-4-11(5-7-13)20-14(22)9-24-15(23)10-2-1-3-12(21)8-10/h1-8,21H,9H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1273 kcal/mol

Physical Properties
Molecular Weight: 355.268 g/mol	logS: -4.59042	SlogP: 3.5062	Reactive groups: 0

Topological Properties
Globularity: 0.0138697	Sterimol/B1: 2.55542	Sterimol/B2: 3.00161	Sterimol/B3: 3.24426
Sterimol/B4: 6.03747	Sterimol/L: 19.8899

Surface and Volume Properties
Accessible surface: 578.582	Positive charged surface: 278.759	Negative charged surface: 299.823	Volume: 286
Hydrophobic surface: 325.81	Hydrophilic surface: 252.772

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.