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MMsINC code: MMs03080506

Type: Neutral
Formula: C₁₅H₂₄N₄O₆S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)CN

InChI:

InChI=1/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.4198 kcal/mol

Physical Properties
Molecular Weight: 388.445 g/mol	logS: -1.90683	SlogP: -1.8281	Reactive groups: 0

Topological Properties
Globularity: 0.089773	Sterimol/B1: 2.48534	Sterimol/B2: 4.56711	Sterimol/B3: 5.80115
Sterimol/B4: 6.54842	Sterimol/L: 20.9427

Surface and Volume Properties
Accessible surface: 707.421	Positive charged surface: 499.682	Negative charged surface: 207.739	Volume: 342.375
Hydrophobic surface: 416.191	Hydrophilic surface: 291.23

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 7	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: 0

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Ions/Tautomers related molecules

MMs03080507
PUBCHEM-ZINC03871520