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PUBCHEM-ZINC04565576 |
MMsINC code: MMs03134847 |
Type: Neutral Formula: C22H24N4O5
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Potential Energy Epot(MMFF94)=102.349 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 424.457 g/mol | logS: -4.10209 | SlogP: 3.5878 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0849568 | Sterimol/B1: 2.20976 | Sterimol/B2: 3.30653 | Sterimol/B3: 5.4285 | |||
Sterimol/B4: 9.82434 | Sterimol/L: 18.3087 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 685.124 | Positive charged surface: 386.57 | Negative charged surface: 298.555 | Volume: 392.375 | |||
Hydrophobic surface: 559.389 | Hydrophilic surface: 125.735 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 7 | 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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