![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
SIAL-ZINC04544244 |
MMsINC code: MMs03921756 |
Type: Ionized Formula: C24H30O11S-2
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=147.735 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 526.559 g/mol | logS: -5.00077 | SlogP: -0.67563 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0690853 | Sterimol/B1: 2.30388 | Sterimol/B2: 3.49151 | Sterimol/B3: 5.83685 | |||
Sterimol/B4: 6.18885 | Sterimol/L: 21.3962 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 722.595 | Positive charged surface: 396.484 | Negative charged surface: 326.111 | Volume: 441.5 | |||
Hydrophobic surface: 398.912 | Hydrophilic surface: 323.683 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 5 | Basic groups: 0 | |||
Chiral centers: 10 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
|