MMsINC Database Search


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MMsINC code: MMs03282522

Type: Neutral
Formula: C₂₃H₁₆FNO₄

SMILES:

Fc1ccccc1C1N(C(=O)C(O)=C1C(=O)c1ccccc1)c1ccc(O)cc1

InChI:

InChI=1/C23H16FNO4/c24-18-9-5-4-8-17(18)20-19(21(27)14-6-2-1-3-7-14)22(28)23(29)25(20)15-10-12-16(26)13-11-15/h1-13,20,26,28H/t20-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.121 kcal/mol

Physical Properties
Molecular Weight: 389.382 g/mol	logS: -5.61949	SlogP: 4.4097	Reactive groups: 1

Topological Properties
Globularity: 0.212101	Sterimol/B1: 2.35707	Sterimol/B2: 3.38254	Sterimol/B3: 6.66016
Sterimol/B4: 7.42489	Sterimol/L: 15.9846

Surface and Volume Properties
Accessible surface: 601.072	Positive charged surface: 314.433	Negative charged surface: 286.64	Volume: 352.125
Hydrophobic surface: 447.72	Hydrophilic surface: 153.352

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs03282524
PUBCHEM-ZINC05483546