MMsINC Database Search


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MMsINC code: MMs01196503

Type: Neutral
Formula: C₁₈H₁₉F₂NO₄

SMILES:

Fc1cc(F)ccc1OCC(=O)c1c(C)c(n(CC)c1C)C(OC)=O

InChI:

InChI=1/C18H19F2NO4/c1-5-21-11(3)16(10(2)17(21)18(23)24-4)14(22)9-25-15-7-6-12(19)8-13(15)20/h6-8H,5,9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8751 kcal/mol

Physical Properties
Molecular Weight: 351.349 g/mol	logS: -3.79742	SlogP: 3.71774	Reactive groups: 0

Topological Properties
Globularity: 0.0747781	Sterimol/B1: 2.55873	Sterimol/B2: 3.83878	Sterimol/B3: 4.64257
Sterimol/B4: 6.71573	Sterimol/L: 17.6601

Surface and Volume Properties
Accessible surface: 606.416	Positive charged surface: 358.525	Negative charged surface: 247.891	Volume: 318.875
Hydrophobic surface: 513.816	Hydrophilic surface: 92.6

Pharmacophoric Properties
Hydrogen bond donors: 0	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.