Search | Help | MolPaint | Roadmap | Credits | Feedback |
NCID-ZINC05352733 |
MMsINC code: MMs02454461 |
Type: Neutral Formula: C14H21N3O5S
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=33.4002 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 343.404 g/mol | logS: -2.11972 | SlogP: -0.7098 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0805657 | Sterimol/B1: 2.4875 | Sterimol/B2: 4.27739 | Sterimol/B3: 5.3807 | |||
Sterimol/B4: 5.57319 | Sterimol/L: 16.2487 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 586.677 | Positive charged surface: 384.945 | Negative charged surface: 201.732 | Volume: 304.875 | |||
Hydrophobic surface: 309.182 | Hydrophilic surface: 277.495 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | 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 |
|