MMsINC Database Search


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MMsINC code: MMs03014164

Type: Neutral
Formula: C₁₅H₁₄F₂N₂O₂

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NCCc1ncccc1

InChI:

InChI=1/C15H14F2N2O2/c16-15(17)21-13-6-4-11(5-7-13)14(20)19-10-8-12-3-1-2-9-18-12/h1-7,9,15H,8,10H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2445 kcal/mol

Physical Properties
Molecular Weight: 292.285 g/mol	logS: -2.38941	SlogP: 3.07537	Reactive groups: 0

Topological Properties
Globularity: 0.0234671	Sterimol/B1: 2.12836	Sterimol/B2: 2.69542	Sterimol/B3: 3.75206
Sterimol/B4: 5.3272	Sterimol/L: 18.2322

Surface and Volume Properties
Accessible surface: 528.986	Positive charged surface: 304.365	Negative charged surface: 224.621	Volume: 263.25
Hydrophobic surface: 390.505	Hydrophilic surface: 138.481

Pharmacophoric Properties
Hydrogen bond donors: 1	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.