MMsINC Database Search


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MMsINC code: MMs01320159

Type: Neutral
Formula: C₁₇H₁₄F₃NO₅

SMILES:

FC(F)(F)Oc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1

InChI:

InChI=1/C17H14F3NO5/c1-10-3-2-4-13(15(10)23)16(24)25-9-14(22)21-11-5-7-12(8-6-11)26-17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.151 kcal/mol

Physical Properties
Molecular Weight: 369.295 g/mol	logS: -4.75089	SlogP: 3.81462	Reactive groups: 0

Topological Properties
Globularity: 0.013602	Sterimol/B1: 3.07571	Sterimol/B2: 3.22536	Sterimol/B3: 3.63892
Sterimol/B4: 4.97451	Sterimol/L: 20.466

Surface and Volume Properties
Accessible surface: 598.572	Positive charged surface: 303.81	Negative charged surface: 294.762	Volume: 303.25
Hydrophobic surface: 367.725	Hydrophilic surface: 230.847

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.