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MMsINC code: MMs03518153

Type: Neutral
Formula: C₂₄H₁₆FNO₂

SMILES:

Fc1cc2c(nc(cc2C(O)=O)-c2ccc(cc2)\C=C/c2ccccc2)cc1

InChI:

InChI=1/C24H16FNO2/c25-19-12-13-22-20(14-19)21(24(27)28)15-23(26-22)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-15H,(H,27,28)/b7-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.721 kcal/mol

Physical Properties
Molecular Weight: 369.395 g/mol	logS: -7.50716	SlogP: 5.9095	Reactive groups: 0

Topological Properties
Globularity: 0.0562112	Sterimol/B1: 2.52163	Sterimol/B2: 3.56245	Sterimol/B3: 4.69186
Sterimol/B4: 7.378	Sterimol/L: 16.786

Surface and Volume Properties
Accessible surface: 607.799	Positive charged surface: 318.263	Negative charged surface: 281.102	Volume: 346.625
Hydrophobic surface: 498.791	Hydrophilic surface: 109.008

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03518154
PUBCHEM-ZINC06060634