MMsINC Database Search


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MMsINC code: MMs00688743

Type: Neutral
Formula: C₁₄H₁₆F₃NO

SMILES:

FC(F)(F)c1ccccc1NC(=O)C1CCCCC1

InChI:

InChI=1/C14H16F3NO/c15-14(16,17)11-8-4-5-9-12(11)18-13(19)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0339 kcal/mol

Physical Properties
Molecular Weight: 271.282 g/mol	logS: -4.49804	SlogP: 4.5357	Reactive groups: 0

Topological Properties
Globularity: 0.0729797	Sterimol/B1: 3.06287	Sterimol/B2: 3.36446	Sterimol/B3: 3.6503
Sterimol/B4: 5.41597	Sterimol/L: 14.0563

Surface and Volume Properties
Accessible surface: 466.445	Positive charged surface: 259.044	Negative charged surface: 207.401	Volume: 242.25
Hydrophobic surface: 354.14	Hydrophilic surface: 112.305

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

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Ions/Tautomers related molecules: no related molecules available.