MMsINC Database Search


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MMsINC code: MMs01415825

Type: Neutral
Formula: C₁₆H₁₁F₄NO₄

SMILES:

Fc1cc(NC(=O)COC(=O)c2cc(OC(F)F)ccc2)ccc1F

InChI:

InChI=1/C16H11F4NO4/c17-12-5-4-10(7-13(12)18)21-14(22)8-24-15(23)9-2-1-3-11(6-9)25-16(19)20/h1-7,16H,8H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7264 kcal/mol

Physical Properties
Molecular Weight: 357.259 g/mol	logS: -4.48725	SlogP: 3.7816	Reactive groups: 0

Topological Properties
Globularity: 0.0120836	Sterimol/B1: 2.55634	Sterimol/B2: 2.60937	Sterimol/B3: 2.92841
Sterimol/B4: 5.8744	Sterimol/L: 19.2681

Surface and Volume Properties
Accessible surface: 568.791	Positive charged surface: 277.056	Negative charged surface: 291.736	Volume: 280.5
Hydrophobic surface: 396.954	Hydrophilic surface: 171.837

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.