![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC06485359 |
MMsINC code: MMs03761501 |
Type: Ionized Formula: C10H12N5O2S-
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=43.7313 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 266.305 g/mol | logS: -2.8443 | SlogP: -1.303 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.251207 | Sterimol/B1: 2.03726 | Sterimol/B2: 3.87828 | Sterimol/B3: 4.88432 | |||
Sterimol/B4: 8.46024 | Sterimol/L: 10.8927 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 468.488 | Positive charged surface: 275.843 | Negative charged surface: 192.644 | Volume: 230.25 | |||
Hydrophobic surface: 205.474 | Hydrophilic surface: 263.014 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | 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 |
|