MMsINC Database Search


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MMsINC code: MMs01430111

Type: Neutral
Formula: C₁₅H₈F₅NO₅

SMILES:

Fc1c(NC(=O)COC(=O)c2ccc(O)cc2O)c(F)c(F)c(F)c1F

InChI:

InChI=1/C15H8F5NO5/c16-9-10(17)12(19)14(13(20)11(9)18)21-8(24)4-26-15(25)6-2-1-5(22)3-7(6)23/h1-3,22-23H,4H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5641 kcal/mol

Physical Properties
Molecular Weight: 377.221 g/mol	logS: -4.51404	SlogP: 2.5888	Reactive groups: 0

Topological Properties
Globularity: 0.0454655	Sterimol/B1: 2.55432	Sterimol/B2: 3.63491	Sterimol/B3: 4.09613
Sterimol/B4: 5.93334	Sterimol/L: 17.353

Surface and Volume Properties
Accessible surface: 564.082	Positive charged surface: 275.09	Negative charged surface: 288.992	Volume: 274.25
Hydrophobic surface: 387.731	Hydrophilic surface: 176.351

Pharmacophoric Properties
Hydrogen bond donors: 3	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.