MMsINC Database Search


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MMsINC code: MMs01448675

Type: Neutral
Formula: C₁₂H₁₄F₃N₃O₂

SMILES:

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

InChI:

InChI=1/C12H14F3N3O2/c13-12(14,15)7-17-10(19)9(18-11(16)20)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,19)(H3,16,18,20)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9585 kcal/mol

Physical Properties
Molecular Weight: 289.257 g/mol	logS: -2.79525	SlogP: 1.36437	Reactive groups: 0

Topological Properties
Globularity: 0.0614258	Sterimol/B1: 2.87455	Sterimol/B2: 3.20557	Sterimol/B3: 3.34711
Sterimol/B4: 7.3471	Sterimol/L: 14.5489

Surface and Volume Properties
Accessible surface: 487.067	Positive charged surface: 250.668	Negative charged surface: 236.398	Volume: 240.875
Hydrophobic surface: 243.044	Hydrophilic surface: 244.023

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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.