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MMsINC code: MMs03741136

Type: Neutral
Formula: C₁₈H₁₆FNO₃

SMILES:

Fc1ccc(cc1)\C=C/C(=O)NC(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C18H16FNO3/c19-15-9-6-13(7-10-15)8-11-17(21)20-16(18(22)23)12-14-4-2-1-3-5-14/h1-11,16H,12H2,(H,20,21)(H,22,23)/b11-8-/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0563 kcal/mol

Physical Properties
Molecular Weight: 313.328 g/mol	logS: -4.15702	SlogP: 2.65097	Reactive groups: 0

Topological Properties
Globularity: 0.158115	Sterimol/B1: 2.42749	Sterimol/B2: 3.44794	Sterimol/B3: 4.95148
Sterimol/B4: 8.21182	Sterimol/L: 13.7501

Surface and Volume Properties
Accessible surface: 548.379	Positive charged surface: 296.491	Negative charged surface: 251.888	Volume: 294.5
Hydrophobic surface: 451.044	Hydrophilic surface: 97.335

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03741137
PUBCHEM-ZINC06452333