MMsINC Database Search


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MMsINC code: MMs01385656

Type: Neutral
Formula: C₁₈H₁₉F₂NO₄

SMILES:

FC(F)Oc1ccccc1NC(=O)c1cc(OC)c(OCCC)cc1

InChI:

InChI=1/C18H19F2NO4/c1-3-10-24-15-9-8-12(11-16(15)23-2)17(22)21-13-6-4-5-7-14(13)25-18(19)20/h4-9,11,18H,3,10H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.173 kcal/mol

Physical Properties
Molecular Weight: 351.349 g/mol	logS: -4.11886	SlogP: 4.7576	Reactive groups: 0

Topological Properties
Globularity: 0.0245421	Sterimol/B1: 2.62993	Sterimol/B2: 3.12128	Sterimol/B3: 3.75177
Sterimol/B4: 8.7148	Sterimol/L: 18.1989

Surface and Volume Properties
Accessible surface: 618.975	Positive charged surface: 392.766	Negative charged surface: 226.209	Volume: 319
Hydrophobic surface: 462.375	Hydrophilic surface: 156.6

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.