Search | Help | MolPaint | Roadmap | Credits | Feedback |
NCID-ZINC05940678 |
MMsINC code: MMs02512269 |
Type: Neutral Formula: C28H39N5O5
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=55.8754 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 525.65 g/mol | logS: -7.62055 | SlogP: 5.92277 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0131525 | Sterimol/B1: 2.50649 | Sterimol/B2: 2.95518 | Sterimol/B3: 4.61871 | |||
Sterimol/B4: 10.7794 | Sterimol/L: 29.4999 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 945.963 | Positive charged surface: 625.873 | Negative charged surface: 320.09 | Volume: 517.25 | |||
Hydrophobic surface: 705.021 | Hydrophilic surface: 240.942 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
|