MMsINC Database Search


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MMsINC code: MMs01284838

Type: Neutral
Formula: C₁₄H₁₄F₃N₃O₃

SMILES:

FC(F)(F)CNC(=O)CN1C(=O)C(NC1=O)Cc1ccccc1

InChI:

InChI=1/C14H14F3N3O3/c15-14(16,17)8-18-11(21)7-20-12(22)10(19-13(20)23)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,18,21)(H,19,23)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8274 kcal/mol

Physical Properties
Molecular Weight: 329.278 g/mol	logS: -3.11942	SlogP: 1.24787	Reactive groups: 0

Topological Properties
Globularity: 0.067628	Sterimol/B1: 3.23036	Sterimol/B2: 3.24639	Sterimol/B3: 4.48323
Sterimol/B4: 4.90245	Sterimol/L: 17.1119

Surface and Volume Properties
Accessible surface: 537.014	Positive charged surface: 263.157	Negative charged surface: 273.857	Volume: 270.875
Hydrophobic surface: 288.834	Hydrophilic surface: 248.18

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.