MMsINC Database Search


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MMsINC code: MMs00245662

Type: Neutral
Formula: C₁₉H₂₁F₃N₂O₂

SMILES:

FC(F)(F)C(=O)N(CC1=Cc2c(NC1=O)c(cc(c2)C)C)C1CCCC1

InChI:

InChI=1/C19H21F3N2O2/c1-11-7-12(2)16-13(8-11)9-14(17(25)23-16)10-24(15-5-3-4-6-15)18(26)19(20,21)22/h7-9,15H,3-6,10H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.414 kcal/mol

Physical Properties
Molecular Weight: 366.383 g/mol	logS: -4.96466	SlogP: 4.39234	Reactive groups: 0

Topological Properties
Globularity: 0.0993657	Sterimol/B1: 3.27097	Sterimol/B2: 3.61946	Sterimol/B3: 4.97713
Sterimol/B4: 6.68212	Sterimol/L: 15.6262

Surface and Volume Properties
Accessible surface: 558.814	Positive charged surface: 327.135	Negative charged surface: 231.679	Volume: 322.875
Hydrophobic surface: 418.792	Hydrophilic surface: 140.022

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