MMsINC Database Search


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MMsINC code: MMs00446118

Type: Neutral
Formula: C₁₆H₁₀F₃NO₃

SMILES:

FC(F)(F)Oc1cc2c(NC(=O)C(c3ccccc3)=C2O)cc1

InChI:

InChI=1/C16H10F3NO3/c17-16(18,19)23-10-6-7-12-11(8-10)14(21)13(15(22)20-12)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3273 kcal/mol

Physical Properties
Molecular Weight: 321.254 g/mol	logS: -4.85609	SlogP: 4.3835	Reactive groups: 0

Topological Properties
Globularity: 0.043663	Sterimol/B1: 3.01419	Sterimol/B2: 3.2106	Sterimol/B3: 3.33338
Sterimol/B4: 4.96498	Sterimol/L: 16.1053

Surface and Volume Properties
Accessible surface: 500.549	Positive charged surface: 223.823	Negative charged surface: 276.726	Volume: 257.125
Hydrophobic surface: 291.312	Hydrophilic surface: 209.237

Pharmacophoric Properties
Hydrogen bond donors: 2	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.