MMsINC Database Search


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MMsINC code: MMs01636655

Type: Neutral
Formula: C₁₈H₁₉FN₂O₄

SMILES:

Fc1ccccc1CC(=O)NNC(=O)c1cc(OC)c(OCC)cc1

InChI:

InChI=1/C18H19FN2O4/c1-3-25-15-9-8-13(10-16(15)24-2)18(23)21-20-17(22)11-12-6-4-5-7-14(12)19/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.181 kcal/mol

Physical Properties
Molecular Weight: 346.358 g/mol	logS: -4.36782	SlogP: 2.23667	Reactive groups: 0

Topological Properties
Globularity: 0.0275168	Sterimol/B1: 2.57454	Sterimol/B2: 3.53356	Sterimol/B3: 3.90586
Sterimol/B4: 8.0485	Sterimol/L: 18.6517

Surface and Volume Properties
Accessible surface: 631.827	Positive charged surface: 402.6	Negative charged surface: 229.227	Volume: 320.875
Hydrophobic surface: 497.948	Hydrophilic surface: 133.879

Pharmacophoric Properties
Hydrogen bond donors: 2	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.