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MICROSOURCE-ZINC03978314 |
MMsINC code: MMs02188962 |
Type: Neutral Formula: C21H28O4
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Potential Energy Epot(MMFF94)=159.341 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 344.451 g/mol | logS: -3.96839 | SlogP: 3.1968 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.205834 | Sterimol/B1: 3.30889 | Sterimol/B2: 3.47412 | Sterimol/B3: 5.12518 | |||
Sterimol/B4: 6.20432 | Sterimol/L: 13.3375 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 519.004 | Positive charged surface: 322.523 | Negative charged surface: 196.481 | Volume: 335.25 | |||
Hydrophobic surface: 328.044 | Hydrophilic surface: 190.96 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
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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