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MMsINC code: MMs02353409

Type: Neutral
Formula: C₁₄H₁₉F₂NO₂

SMILES:

FCCN(CCF)c1ccc(cc1)CCCC(O)=O

InChI:

InChI=1/C14H19F2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8324 kcal/mol

Physical Properties
Molecular Weight: 271.307 g/mol	logS: -2.38768	SlogP: 2.83927	Reactive groups: 1

Topological Properties
Globularity: 0.0691183	Sterimol/B1: 3.04657	Sterimol/B2: 3.44368	Sterimol/B3: 3.60027
Sterimol/B4: 6.41068	Sterimol/L: 15.2935

Surface and Volume Properties
Accessible surface: 511.771	Positive charged surface: 325.595	Negative charged surface: 186.176	Volume: 258.25
Hydrophobic surface: 324.822	Hydrophilic surface: 186.949

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

MMs02353410
NCID-ZINC01730504