MMsINC Database Search


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MMsINC code: MMs03199872

Type: Neutral
Formula: C₁₉H₂₃FN₂O₅S

SMILES:

S(Oc1cc(ccc1)CN(CCOC)C(=O)N(C)C)(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C19H23FN2O5S/c1-21(2)19(23)22(11-12-26-3)14-15-5-4-6-17(13-15)27-28(24,25)18-9-7-16(20)8-10-18/h4-10,13H,11-12,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.095 kcal/mol

Physical Properties
Molecular Weight: 410.466 g/mol	logS: -3.6952	SlogP: 2.9898	Reactive groups: 0

Topological Properties
Globularity: 0.224359	Sterimol/B1: 2.53459	Sterimol/B2: 2.85013	Sterimol/B3: 7.31893
Sterimol/B4: 8.73267	Sterimol/L: 14.8849

Surface and Volume Properties
Accessible surface: 636.261	Positive charged surface: 420.036	Negative charged surface: 216.225	Volume: 365
Hydrophobic surface: 537.522	Hydrophilic surface: 98.739

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.