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MMsINC code: MMs00616884

Type: Neutral
Formula: C₁₅H₁₄FNO₃

SMILES:

Fc1ccc(cc1)C1N(CC=C)C(=O)C(=O)C1C(=O)C

InChI:

InChI=1/C15H14FNO3/c1-3-8-17-13(10-4-6-11(16)7-5-10)12(9(2)18)14(19)15(17)20/h3-7,12-13H,1,8H2,2H3/t12-,13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.3161 kcal/mol

Physical Properties
Molecular Weight: 275.279 g/mol	logS: -2.79161	SlogP: 1.7648	Reactive groups: 0

Topological Properties
Globularity: 0.191984	Sterimol/B1: 3.44409	Sterimol/B2: 3.69748	Sterimol/B3: 4.21269
Sterimol/B4: 6.10712	Sterimol/L: 12.1042

Surface and Volume Properties
Accessible surface: 461.811	Positive charged surface: 242.023	Negative charged surface: 219.789	Volume: 254.25
Hydrophobic surface: 314.004	Hydrophilic surface: 147.807

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00616886
CHEMBRIDGE-ZINC00443846