MMsINC Database Search


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MMsINC code: MMs01607230

Type: Neutral
Formula: C₂₃H₁₉F₂NO₄

SMILES:

FC(F)Oc1ccccc1C(OCC(=O)NC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C23H19F2NO4/c24-23(25)30-19-14-8-7-13-18(19)22(28)29-15-20(27)26-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21,23H,15H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.01 kcal/mol

Physical Properties
Molecular Weight: 411.404 g/mol	logS: -5.60923	SlogP: 4.866	Reactive groups: 0

Topological Properties
Globularity: 0.0851415	Sterimol/B1: 2.19602	Sterimol/B2: 3.42818	Sterimol/B3: 5.48242
Sterimol/B4: 8.66621	Sterimol/L: 17.625

Surface and Volume Properties
Accessible surface: 691.447	Positive charged surface: 365.98	Negative charged surface: 325.466	Volume: 373.5
Hydrophobic surface: 540.72	Hydrophilic surface: 150.727

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.