MMsINC Database Search


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MMsINC code: MMs01467748

Type: Neutral
Formula: C₁₉H₂₇FN₂O₄

SMILES:

Fc1ccccc1C(=O)NCC(OCC(=O)N(CC(C)C)CC(C)C)=O

InChI:

InChI=1/C19H27FN2O4/c1-13(2)10-22(11-14(3)4)17(23)12-26-18(24)9-21-19(25)15-7-5-6-8-16(15)20/h5-8,13-14H,9-12H2,1-4H3,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3454 kcal/mol

Physical Properties
Molecular Weight: 366.433 g/mol	logS: -3.76224	SlogP: 2.2393	Reactive groups: 1

Topological Properties
Globularity: 0.0290647	Sterimol/B1: 2.14946	Sterimol/B2: 2.29234	Sterimol/B3: 4.1461
Sterimol/B4: 8.7615	Sterimol/L: 19.8434

Surface and Volume Properties
Accessible surface: 665.264	Positive charged surface: 423.598	Negative charged surface: 241.666	Volume: 357.375
Hydrophobic surface: 486.409	Hydrophilic surface: 178.855

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.