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NCID-ZINC05028512 |
MMsINC code: MMs02429669 |
Type: Neutral Formula: C26H28N4O9
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Potential Energy Epot(MMFF94)=148.607 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 540.529 g/mol | logS: -5.37217 | SlogP: 1.6458 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0485692 | Sterimol/B1: 2.21246 | Sterimol/B2: 3.7206 | Sterimol/B3: 3.79066 | |||
Sterimol/B4: 12.4272 | Sterimol/L: 23.1823 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 870.416 | Positive charged surface: 527.618 | Negative charged surface: 342.798 | Volume: 477.125 | |||
Hydrophobic surface: 628.157 | Hydrophilic surface: 242.259 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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