Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC02193107 |
MMsINC code: MMs02883969 |
Type: Neutral Formula: C26H45NO3
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=168.3 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 419.65 g/mol | logS: -8.2096 | SlogP: 4.531 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.12467 | Sterimol/B1: 2.13911 | Sterimol/B2: 3.7073 | Sterimol/B3: 6.53079 | |||
Sterimol/B4: 7.89397 | Sterimol/L: 17.8908 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 681.153 | Positive charged surface: 532.868 | Negative charged surface: 148.284 | Volume: 433.125 | |||
Hydrophobic surface: 496.085 | Hydrophilic surface: 185.068 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|