MMsINC Database Search


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MMsINC code: MMs00251689

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃S

SMILES:

S1CC(CC1=O)C(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1

InChI:

InChI=1/C19H23FN2O3S/c20-14-6-8-16(9-7-14)22(19(25)13-10-18(24)26-12-13)11-17(23)21-15-4-2-1-3-5-15/h6-9,13,15H,1-5,10-12H2,(H,21,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8406 kcal/mol

Physical Properties
Molecular Weight: 378.468 g/mol	logS: -4.5861	SlogP: 2.8873	Reactive groups: 0

Topological Properties
Globularity: 0.116445	Sterimol/B1: 3.299	Sterimol/B2: 3.88033	Sterimol/B3: 4.2408
Sterimol/B4: 9.87531	Sterimol/L: 14.499

Surface and Volume Properties
Accessible surface: 616.239	Positive charged surface: 365.337	Negative charged surface: 250.902	Volume: 345.5
Hydrophobic surface: 465.697	Hydrophilic surface: 150.542

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.