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NCID-ZINC04762676 |
MMsINC code: MMs02401543 |
Type: Neutral Formula: C21H24N2O6
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Potential Energy Epot(MMFF94)=77.5874 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 400.431 g/mol | logS: -3.73028 | SlogP: 1.74067 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0843077 | Sterimol/B1: 2.56608 | Sterimol/B2: 2.80807 | Sterimol/B3: 5.56439 | |||
Sterimol/B4: 9.65073 | Sterimol/L: 17.3318 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 691.857 | Positive charged surface: 403.192 | Negative charged surface: 288.665 | Volume: 376.625 | |||
Hydrophobic surface: 494.693 | Hydrophilic surface: 197.164 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 5 | 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: 1 |
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