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MMsINC code: MMs02765462

Type: Neutral
Formula: C₁₅H₁₈FNO₃

SMILES:

Fc1cc(NC(=O)C2CCCCC2C(O)=O)ccc1C

InChI:

InChI=1/C15H18FNO3/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)/t11-,12+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8349 kcal/mol

Physical Properties
Molecular Weight: 279.311 g/mol	logS: -3.13404	SlogP: 2.96362	Reactive groups: 0

Topological Properties
Globularity: 0.107644	Sterimol/B1: 3.38786	Sterimol/B2: 4.3062	Sterimol/B3: 4.83574
Sterimol/B4: 4.92793	Sterimol/L: 13.4813

Surface and Volume Properties
Accessible surface: 494.666	Positive charged surface: 316.541	Negative charged surface: 178.126	Volume: 258.625
Hydrophobic surface: 394.885	Hydrophilic surface: 99.781

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02765463
PUBCHEM-ZINC01078433