MMsINC Database Search


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MMsINC code: MMs01212237

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃

SMILES:

Fc1cc(ccc1)C(=O)N1C(COC12CCCCC2)C(=O)NC1CC1

InChI:

InChI=1/C19H23FN2O3/c20-14-6-4-5-13(11-14)18(24)22-16(17(23)21-15-7-8-15)12-25-19(22)9-2-1-3-10-19/h4-6,11,15-16H,1-3,7-10,12H2,(H,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=279.278 kcal/mol

Physical Properties
Molecular Weight: 346.402 g/mol	logS: -4.26353	SlogP: 2.6057	Reactive groups: 0

Topological Properties
Globularity: 0.115168	Sterimol/B1: 2.46886	Sterimol/B2: 3.64101	Sterimol/B3: 4.06784
Sterimol/B4: 8.59341	Sterimol/L: 13.7548

Surface and Volume Properties
Accessible surface: 526.718	Positive charged surface: 360.935	Negative charged surface: 165.783	Volume: 318.625
Hydrophobic surface: 458.456	Hydrophilic surface: 68.262

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.