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MMsINC code: MMs00636073

Type: Neutral
Formula: C₁₅H₁₈FNO₃

SMILES:

Fc1cccc(NC(=O)C2CCCCC2C(O)=O)c1C

InChI:

InChI=1/C15H18FNO3/c1-9-12(16)7-4-8-13(9)17-14(18)10-5-2-3-6-11(10)15(19)20/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,17,18)(H,19,20)/t10-,11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5438 kcal/mol

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

Topological Properties
Globularity: 0.115006	Sterimol/B1: 2.2967	Sterimol/B2: 2.40921	Sterimol/B3: 4.71708
Sterimol/B4: 6.85715	Sterimol/L: 14.0528

Surface and Volume Properties
Accessible surface: 496.318	Positive charged surface: 310.722	Negative charged surface: 185.596	Volume: 257.875
Hydrophobic surface: 402.818	Hydrophilic surface: 93.5

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

MMs00636074
CHEMBRIDGE-ZINC00620309