MMsINC Database Search


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MMsINC code: MMs00735186

Type: Neutral
Formula: C₁₇H₁₅F₃N₂O₂

SMILES:

FC(F)(F)c1ccccc1NC(=O)CNC(=O)c1ccccc1C

InChI:

InChI=1/C17H15F3N2O2/c1-11-6-2-3-7-12(11)16(24)21-10-15(23)22-14-9-5-4-8-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6869 kcal/mol

Physical Properties
Molecular Weight: 336.313 g/mol	logS: -5.05791	SlogP: 3.69382	Reactive groups: 0

Topological Properties
Globularity: 0.0173195	Sterimol/B1: 2.24757	Sterimol/B2: 2.81013	Sterimol/B3: 3.11226
Sterimol/B4: 6.79436	Sterimol/L: 16.7283

Surface and Volume Properties
Accessible surface: 555.273	Positive charged surface: 272.928	Negative charged surface: 282.345	Volume: 293.125
Hydrophobic surface: 396.839	Hydrophilic surface: 158.434

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.