MMsINC Database Search


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MMsINC code: MMs00157201

Type: Neutral
Formula: C₁₈H₁₆F₆N₂O

SMILES:

FC(F)(F)C(NC(=O)N(Cc1ccccc1)Cc1ccccc1)C(F)(F)F

InChI:

InChI=1/C18H16F6N2O/c19-17(20,21)15(18(22,23)24)25-16(27)26(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7597 kcal/mol

Physical Properties
Molecular Weight: 390.327 g/mol	logS: -5.20012	SlogP: 6.2642	Reactive groups: 0

Topological Properties
Globularity: 0.100645	Sterimol/B1: 3.14069	Sterimol/B2: 3.27699	Sterimol/B3: 3.56
Sterimol/B4: 9.86925	Sterimol/L: 13.9945

Surface and Volume Properties
Accessible surface: 558.755	Positive charged surface: 236.313	Negative charged surface: 322.442	Volume: 320.125
Hydrophobic surface: 367.312	Hydrophilic surface: 191.443

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.