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NCID-ZINC03871794 |
MMsINC code: MMs02381449 |
Type: Neutral Formula: C24H34O4
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Potential Energy Epot(MMFF94)=181.216 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 386.532 g/mol | logS: -5.05742 | SlogP: 4.118 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.171368 | Sterimol/B1: 2.63475 | Sterimol/B2: 3.29339 | Sterimol/B3: 5.66604 | |||
Sterimol/B4: 5.93401 | Sterimol/L: 15.7869 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 571.095 | Positive charged surface: 384.514 | Negative charged surface: 186.582 | Volume: 378.5 | |||
Hydrophobic surface: 403.282 | Hydrophilic surface: 167.813 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
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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