MMsINC Database Search


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MMsINC code: MMs01526262

Type: Neutral
Formula: C₁₆H₁₉N₃O₅S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NNC(=O)c1cc(oc1C)C

InChI:

InChI=1/C16H19N3O5S/c1-10-9-14(11(2)24-10)16(21)18-17-15(20)12-5-7-13(8-6-12)25(22,23)19(3)4/h5-9H,1-4H3,(H,17,20)(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3829 kcal/mol

Physical Properties
Molecular Weight: 365.41 g/mol	logS: -3.72239	SlogP: 1.22154	Reactive groups: 0

Topological Properties
Globularity: 0.0264697	Sterimol/B1: 2.59199	Sterimol/B2: 3.07783	Sterimol/B3: 4.06623
Sterimol/B4: 6.508	Sterimol/L: 19.4793

Surface and Volume Properties
Accessible surface: 617.62	Positive charged surface: 360.91	Negative charged surface: 256.71	Volume: 325
Hydrophobic surface: 462.438	Hydrophilic surface: 155.182

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.