MMsINC Database Search


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MMsINC code: MMs00680638

Type: Neutral
Formula: C₁₉H₂₀F₃NO₂

SMILES:

FC(F)(F)c1cc(NC(=O)CCCc2cc(C)c(OC)cc2)ccc1

InChI:

InChI=1/C19H20F3NO2/c1-13-11-14(9-10-17(13)25-2)5-3-8-18(24)23-16-7-4-6-15(12-16)19(20,21)22/h4,6-7,9-12H,3,5,8H2,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9992 kcal/mol

Physical Properties
Molecular Weight: 351.368 g/mol	logS: -5.08088	SlogP: 5.29529	Reactive groups: 0

Topological Properties
Globularity: 0.0614611	Sterimol/B1: 2.10314	Sterimol/B2: 2.30701	Sterimol/B3: 6.03289
Sterimol/B4: 6.11374	Sterimol/L: 19.797

Surface and Volume Properties
Accessible surface: 624.308	Positive charged surface: 365.452	Negative charged surface: 258.856	Volume: 322.875
Hydrophobic surface: 475.302	Hydrophilic surface: 149.006

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.