MMsINC Database Search


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MMsINC code: MMs02297070

Type: Neutral
Formula: C₁₉H₁₇F₃N₂O

SMILES:

FC(F)(F)C(=O)N(N(c1ccccc1)c1ccccc1)C=1CCCC=1

InChI:

InChI=1/C19H17F3N2O/c20-19(21,22)18(25)24(17-13-7-8-14-17)23(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-13H,7-8,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.201 kcal/mol

Physical Properties
Molecular Weight: 346.352 g/mol	logS: -4.84652	SlogP: 5.6183	Reactive groups: 0

Topological Properties
Globularity: 0.36169	Sterimol/B1: 2.46385	Sterimol/B2: 3.57337	Sterimol/B3: 6.20495
Sterimol/B4: 9.7704	Sterimol/L: 12.0736

Surface and Volume Properties
Accessible surface: 532.552	Positive charged surface: 284.31	Negative charged surface: 248.242	Volume: 311.5
Hydrophobic surface: 433.607	Hydrophilic surface: 98.945

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.