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AURORAFEINCHEMIE-ZINC04027076 |
MMsINC code: MMs00462025 |
Type: Neutral Formula: C25H34O6
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Potential Energy Epot(MMFF94)=148.078 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 430.541 g/mol | logS: -4.41443 | SlogP: 4.11 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.236786 | Sterimol/B1: 3.60886 | Sterimol/B2: 3.90843 | Sterimol/B3: 4.27329 | |||
Sterimol/B4: 8.77975 | Sterimol/L: 14.2934 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 612.259 | Positive charged surface: 374.375 | Negative charged surface: 237.884 | Volume: 407.625 | |||
Hydrophobic surface: 393.516 | Hydrophilic surface: 218.743 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | 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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