Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC03983184 |
MMsINC code: MMs03086239 |
Type: Neutral Formula: C18H23NO6
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=81.4393 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 349.383 g/mol | logS: -2.0459 | SlogP: 1.24067 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0487912 | Sterimol/B1: 2.383 | Sterimol/B2: 3.11692 | Sterimol/B3: 3.93895 | |||
Sterimol/B4: 7.18124 | Sterimol/L: 18.1403 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 621.536 | Positive charged surface: 457.731 | Negative charged surface: 163.805 | Volume: 326.25 | |||
Hydrophobic surface: 455.963 | Hydrophilic surface: 165.573 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|