Search | Help | MolPaint | Roadmap | Credits | Feedback |
IFLAB-ZINC05257879 |
MMsINC code: MMs02086970 |
Type: Neutral Formula: C13H18N2O5
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=64.4535 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 282.296 g/mol | logS: -0.99439 | SlogP: 0.1444 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0979423 | Sterimol/B1: 2.28506 | Sterimol/B2: 3.48201 | Sterimol/B3: 4.21467 | |||
Sterimol/B4: 8.24393 | Sterimol/L: 14.0886 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 529.538 | Positive charged surface: 348.823 | Negative charged surface: 180.715 | Volume: 260 | |||
Hydrophobic surface: 291.324 | Hydrophilic surface: 238.214 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 6 | Acid groups: 0 | 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 |
|