MMsINC Database Search


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MMsINC code: MMs01673351

Type: Neutral
Formula: C₁₉H₂₀F₃N₃O

SMILES:

FC(F)(F)c1cc(NC(=O)c2ccncc2)c(NC2CCCCC2)cc1

InChI:

InChI=1/C19H20F3N3O/c20-19(21,22)14-6-7-16(24-15-4-2-1-3-5-15)17(12-14)25-18(26)13-8-10-23-11-9-13/h6-12,15,24H,1-5H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9109 kcal/mol

Physical Properties
Molecular Weight: 363.383 g/mol	logS: -4.42088	SlogP: 5.4088	Reactive groups: 0

Topological Properties
Globularity: 0.0573688	Sterimol/B1: 3.13938	Sterimol/B2: 3.41556	Sterimol/B3: 3.96636
Sterimol/B4: 9.32009	Sterimol/L: 15.8933

Surface and Volume Properties
Accessible surface: 596.199	Positive charged surface: 361.757	Negative charged surface: 234.442	Volume: 324
Hydrophobic surface: 438.357	Hydrophilic surface: 157.842

Pharmacophoric Properties
Hydrogen bond donors: 2	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.