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ANALYTICONDISCOVERY-ZINC04236968 |
MMsINC code: MMs00032804 |
Type: Neutral Formula: C21H39NO4
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Potential Energy Epot(MMFF94)=201.548 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 369.546 g/mol | logS: -2.42421 | SlogP: 2.474 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0929767 | Sterimol/B1: 2.202 | Sterimol/B2: 4.28392 | Sterimol/B3: 5.71058 | |||
Sterimol/B4: 5.86763 | Sterimol/L: 17.0344 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 614.298 | Positive charged surface: 458.242 | Negative charged surface: 156.057 | Volume: 379 | |||
Hydrophobic surface: 388.371 | Hydrophilic surface: 225.927 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
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