MMsINC Database Search


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MMsINC code: MMs01673699

Type: Neutral
Formula: C₁₇H₁₃F₃N₂O

SMILES:

FC(F)(F)c1ccccc1NC(=O)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C17H13F3N2O/c18-17(19,20)13-6-2-4-8-15(13)22-16(23)9-11-10-21-14-7-3-1-5-12(11)14/h1-8,10,21H,9H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.895 kcal/mol

Physical Properties
Molecular Weight: 318.298 g/mol	logS: -4.76279	SlogP: 4.67937	Reactive groups: 0

Topological Properties
Globularity: 0.0828741	Sterimol/B1: 2.2511	Sterimol/B2: 3.1817	Sterimol/B3: 4.85867
Sterimol/B4: 5.84609	Sterimol/L: 14.8875

Surface and Volume Properties
Accessible surface: 524.967	Positive charged surface: 247.575	Negative charged surface: 273.782	Volume: 276
Hydrophobic surface: 362.283	Hydrophilic surface: 162.684

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.