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MMsINC code: MMs00258113

Type: Neutral
Formula: C₁₅H₂₀F₂N₂O₃

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NCCCN1CCOCC1

InChI:

InChI=1/C15H20F2N2O3/c16-15(17)22-13-4-2-12(3-5-13)14(20)18-6-1-7-19-8-10-21-11-9-19/h2-5,15H,1,6-11H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2213 kcal/mol

Physical Properties
Molecular Weight: 314.332 g/mol	logS: -2.0564	SlogP: 2.16	Reactive groups: 0

Topological Properties
Globularity: 0.0244384	Sterimol/B1: 2.74285	Sterimol/B2: 3.00473	Sterimol/B3: 3.37302
Sterimol/B4: 6.08447	Sterimol/L: 18.4348

Surface and Volume Properties
Accessible surface: 561.397	Positive charged surface: 388.325	Negative charged surface: 173.072	Volume: 286
Hydrophobic surface: 418.58	Hydrophilic surface: 142.817

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

MMs00258114
ASINEX-ZINC01807260