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PUBCHEM-ZINC06821420 |
MMsINC code: MMs03867666 |
Type: Neutral Formula: C36H46N4O6
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Potential Energy Epot(MMFF94)=169.886 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 630.786 g/mol | logS: -8.16825 | SlogP: 4.71144 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0831379 | Sterimol/B1: 2.22507 | Sterimol/B2: 5.67988 | Sterimol/B3: 8.01329 | |||
Sterimol/B4: 9.44778 | Sterimol/L: 25.0997 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 1013.1 | Positive charged surface: 642.91 | Negative charged surface: 370.192 | Volume: 626.75 | |||
Hydrophobic surface: 764.216 | Hydrophilic surface: 248.884 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
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