MMsINC Database Search


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MMsINC code: MMs01514794

Type: Neutral
Formula: C₁₇H₁₃F₄NO₅

SMILES:

FC(F)Oc1ccccc1C(OCC(=O)Nc1ccccc1OC(F)F)=O

InChI:

InChI=1/C17H13F4NO5/c18-16(19)26-12-7-3-1-5-10(12)15(24)25-9-14(23)22-11-6-2-4-8-13(11)27-17(20)21/h1-8,16-17H,9H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.725 kcal/mol

Physical Properties
Molecular Weight: 387.285 g/mol	logS: -4.03154	SlogP: 4.5247	Reactive groups: 0

Topological Properties
Globularity: 0.0198632	Sterimol/B1: 2.5328	Sterimol/B2: 2.8391	Sterimol/B3: 3.60062
Sterimol/B4: 7.23092	Sterimol/L: 17.0234

Surface and Volume Properties
Accessible surface: 598.991	Positive charged surface: 310.523	Negative charged surface: 288.468	Volume: 309
Hydrophobic surface: 364.638	Hydrophilic surface: 234.353

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.