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ANALYTICONDISCOVERY-ZINC03839143 |
MMsINC code: MMs00026411 |
Type: Neutral Formula: C24H37N5O4
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Potential Energy Epot(MMFF94)=89.7606 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 459.591 g/mol | logS: -4.71123 | SlogP: 1.31247 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.090734 | Sterimol/B1: 2.36172 | Sterimol/B2: 3.939 | Sterimol/B3: 6.09605 | |||
Sterimol/B4: 9.06072 | Sterimol/L: 17.9462 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 733.239 | Positive charged surface: 503.612 | Negative charged surface: 229.627 | Volume: 458.625 | |||
Hydrophobic surface: 489.351 | Hydrophilic surface: 243.888 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
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