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MMsINC code: MMs03309420

Type: Neutral
Formula: C₁₄H₁₇F₃N₂O₂

SMILES:

FC(F)(F)c1cc(NC(=O)NC2CCCCC2O)ccc1

InChI:

InChI=1/C14H17F3N2O2/c15-14(16,17)9-4-3-5-10(8-9)18-13(21)19-11-6-1-2-7-12(11)20/h3-5,8,11-12,20H,1-2,6-7H2,(H2,18,19,21)/t11-,12+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7886 kcal/mol

Physical Properties
Molecular Weight: 302.296 g/mol	logS: -3.23812	SlogP: 3.4419	Reactive groups: 0

Topological Properties
Globularity: 0.0877296	Sterimol/B1: 2.51643	Sterimol/B2: 3.6027	Sterimol/B3: 3.91858
Sterimol/B4: 6.054	Sterimol/L: 14.4828

Surface and Volume Properties
Accessible surface: 505.937	Positive charged surface: 283.845	Negative charged surface: 222.092	Volume: 261.25
Hydrophobic surface: 312.969	Hydrophilic surface: 192.968

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.