MMsINC Database Search


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MMsINC code: MMs02139825

Type: Neutral
Formula: C₁₅H₁₄F₃N₃O₂

SMILES:

FC(F)(F)c1cc(NC(=O)NCc2cccnc2)cc(OC)c1

InChI:

InChI=1/C15H14F3N3O2/c1-23-13-6-11(15(16,17)18)5-12(7-13)21-14(22)20-9-10-3-2-4-19-8-10/h2-8H,9H2,1H3,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9872 kcal/mol

Physical Properties
Molecular Weight: 325.29 g/mol	logS: -3.04488	SlogP: 4.0086	Reactive groups: 0

Topological Properties
Globularity: 0.0384279	Sterimol/B1: 2.13273	Sterimol/B2: 3.2888	Sterimol/B3: 3.62334
Sterimol/B4: 8.21617	Sterimol/L: 16.1416

Surface and Volume Properties
Accessible surface: 554.21	Positive charged surface: 337.661	Negative charged surface: 216.549	Volume: 275.125
Hydrophobic surface: 353.605	Hydrophilic surface: 200.605

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