MMsINC Database Search


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MMsINC code: MMs01433042

Type: Neutral
Formula: C₁₇H₁₇FN₂O₅S

SMILES:

S(=O)(=O)(NC(C(=O)NCc1cc2OCOc2cc1)C)c1ccc(F)cc1

InChI:

InChI=1/C17H17FN2O5S/c1-11(20-26(22,23)14-5-3-13(18)4-6-14)17(21)19-9-12-2-7-15-16(8-12)25-10-24-15/h2-8,11,20H,9-10H2,1H3,(H,19,21)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.7334 kcal/mol

Physical Properties
Molecular Weight: 380.396 g/mol	logS: -3.74062	SlogP: 1.804	Reactive groups: 0

Topological Properties
Globularity: 0.0650892	Sterimol/B1: 2.60467	Sterimol/B2: 4.7256	Sterimol/B3: 4.87892
Sterimol/B4: 4.90235	Sterimol/L: 17.5419

Surface and Volume Properties
Accessible surface: 604.018	Positive charged surface: 333.569	Negative charged surface: 270.449	Volume: 322.5
Hydrophobic surface: 408.764	Hydrophilic surface: 195.254

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.