Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC04760709 |
MMsINC code: MMs03167136 |
Type: Ionized Formula: C19H27N2O5S-
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=39.3313 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 395.5 g/mol | logS: -4.78976 | SlogP: 1.5817 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.12233 | Sterimol/B1: 2.51932 | Sterimol/B2: 4.44376 | Sterimol/B3: 7.35727 | |||
Sterimol/B4: 8.56491 | Sterimol/L: 17.1892 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 719.242 | Positive charged surface: 419.399 | Negative charged surface: 299.843 | Volume: 382.375 | |||
Hydrophobic surface: 479.34 | Hydrophilic surface: 239.902 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|