MMsINC Database Search


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MMsINC code: MMs01347365

Type: Neutral
Formula: C₁₈H₁₇F₂NO₅

SMILES:

FC(F)Oc1ccccc1NC(=O)COC(=O)c1ccccc1OCC

InChI:

InChI=1/C18H17F2NO5/c1-2-24-14-9-5-3-7-12(14)17(23)25-11-16(22)21-13-8-4-6-10-15(13)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.619 kcal/mol

Physical Properties
Molecular Weight: 365.332 g/mol	logS: -4.27488	SlogP: 3.9021	Reactive groups: 0

Topological Properties
Globularity: 0.0192462	Sterimol/B1: 2.1078	Sterimol/B2: 2.52781	Sterimol/B3: 3.90988
Sterimol/B4: 8.48531	Sterimol/L: 17.5326

Surface and Volume Properties
Accessible surface: 623.993	Positive charged surface: 374.442	Negative charged surface: 249.551	Volume: 318.125
Hydrophobic surface: 442.02	Hydrophilic surface: 181.973

Pharmacophoric Properties
Hydrogen bond donors: 1	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.