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MMsINC code: MMs00774147

Type: Neutral
Formula: C₁₅H₁₆FNO₃

SMILES:

Fc1ccc(cc1NC(=O)C1CC=CCC1C(O)=O)C

InChI:

InChI=1/C15H16FNO3/c1-9-6-7-12(16)13(8-9)17-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11H,4-5H2,1H3,(H,17,18)(H,19,20)/t10-,11+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.8963 kcal/mol

Physical Properties
Molecular Weight: 277.295 g/mol	logS: -2.28317	SlogP: 2.73962	Reactive groups: 0

Topological Properties
Globularity: 0.193164	Sterimol/B1: 2.41829	Sterimol/B2: 3.64784	Sterimol/B3: 5.05634
Sterimol/B4: 6.49971	Sterimol/L: 12.253

Surface and Volume Properties
Accessible surface: 482.81	Positive charged surface: 297.651	Negative charged surface: 185.159	Volume: 254.25
Hydrophobic surface: 365.727	Hydrophilic surface: 117.083

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

MMs00774148
CHEMBRIDGE-ZINC04648234