MMsINC Database Search


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MMsINC code: MMs01348679

Type: Neutral
Formula: C₁₇H₁₅F₂NO₅

SMILES:

FC(F)Oc1ccccc1NC(=O)COC(=O)c1ccccc1OC

InChI:

InChI=1/C17H15F2NO5/c1-23-13-8-4-2-6-11(13)16(22)24-10-15(21)20-12-7-3-5-9-14(12)25-17(18)19/h2-9,17H,10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.893 kcal/mol

Physical Properties
Molecular Weight: 351.305 g/mol	logS: -3.94767	SlogP: 3.512	Reactive groups: 0

Topological Properties
Globularity: 0.0189356	Sterimol/B1: 2.65952	Sterimol/B2: 2.67429	Sterimol/B3: 3.77715
Sterimol/B4: 7.09783	Sterimol/L: 16.9178

Surface and Volume Properties
Accessible surface: 594.676	Positive charged surface: 361.111	Negative charged surface: 233.564	Volume: 303
Hydrophobic surface: 434.075	Hydrophilic surface: 160.601

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.