MMsINC Database Search


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MMsINC code: MMs00583572

Type: Neutral
Formula: C₁₇H₁₆F₃NO₃

SMILES:

FC(F)(F)c1ccccc1NC(=O)Cc1cc(OC)c(OC)cc1

InChI:

InChI=1/C17H16F3NO3/c1-23-14-8-7-11(9-15(14)24-2)10-16(22)21-13-6-4-3-5-12(13)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.892 kcal/mol

Physical Properties
Molecular Weight: 339.313 g/mol	logS: -4.57365	SlogP: 4.21527	Reactive groups: 0

Topological Properties
Globularity: 0.0982734	Sterimol/B1: 2.59849	Sterimol/B2: 3.60663	Sterimol/B3: 4.14317
Sterimol/B4: 6.87695	Sterimol/L: 16.2145

Surface and Volume Properties
Accessible surface: 576.217	Positive charged surface: 349.754	Negative charged surface: 226.463	Volume: 294
Hydrophobic surface: 440.494	Hydrophilic surface: 135.723

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.