MMsINC Database Search


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MMsINC code: MMs01170431

Type: Neutral
Formula: C₁₉H₂₃FN₂O₅S

SMILES:

S(Oc1ccc(cc1)CN(CCOC)C(=O)N(C)C)(=O)(=O)c1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.849 kcal/mol

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

Topological Properties
Globularity: 0.103103	Sterimol/B1: 2.16535	Sterimol/B2: 3.69608	Sterimol/B3: 4.89734
Sterimol/B4: 7.90517	Sterimol/L: 16.9636

Surface and Volume Properties
Accessible surface: 645.12	Positive charged surface: 427.088	Negative charged surface: 218.032	Volume: 363.875
Hydrophobic surface: 542.512	Hydrophilic surface: 102.608

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.