MMsINC Database Search


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MMsINC code: MMs00607658

Type: Neutral
Formula: C₁₅H₁₈F₃NO

SMILES:

FC(F)(F)c1cc(NC(=O)CC2CCCCC2)ccc1

InChI:

InChI=1/C15H18F3NO/c16-15(17,18)12-7-4-8-13(10-12)19-14(20)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4595 kcal/mol

Physical Properties
Molecular Weight: 285.309 g/mol	logS: -5.32671	SlogP: 4.9258	Reactive groups: 0

Topological Properties
Globularity: 0.066359	Sterimol/B1: 2.17024	Sterimol/B2: 2.4644	Sterimol/B3: 4.79209
Sterimol/B4: 5.07544	Sterimol/L: 15.765

Surface and Volume Properties
Accessible surface: 501.644	Positive charged surface: 290.984	Negative charged surface: 210.66	Volume: 257.625
Hydrophobic surface: 366.006	Hydrophilic surface: 135.638

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.