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ACROSORGANICS-ZINC04284411 |
MMsINC code: MMs00018078 |
Type: Neutral Formula: C30H50O2
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Potential Energy Epot(MMFF94)=148.36 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 442.728 g/mol | logS: -11.1568 | SlogP: 8.3496 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0415058 | Sterimol/B1: 3.64783 | Sterimol/B2: 3.87855 | Sterimol/B3: 4.36393 | |||
Sterimol/B4: 4.98735 | Sterimol/L: 25.2028 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 772.647 | Positive charged surface: 577.973 | Negative charged surface: 194.674 | Volume: 488 | |||
Hydrophobic surface: 628 | Hydrophilic surface: 144.647 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 1 | 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: 1 | Oprea's lead like rule: 1 |
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