MMsINC Database Search


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MMsINC code: MMs01473081

Type: Neutral
Formula: C₁₇H₁₄F₃NO₅

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.813 kcal/mol

Physical Properties
Molecular Weight: 369.295 g/mol	logS: -5.06434	SlogP: 3.81462	Reactive groups: 0

Topological Properties
Globularity: 0.0140535	Sterimol/B1: 2.42459	Sterimol/B2: 3.0418	Sterimol/B3: 3.24163
Sterimol/B4: 6.17791	Sterimol/L: 20.2163

Surface and Volume Properties
Accessible surface: 602.946	Positive charged surface: 305.846	Negative charged surface: 297.1	Volume: 304.625
Hydrophobic surface: 363.472	Hydrophilic surface: 239.474

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.