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ENAMINE-ZINC04996677 |
MMsINC code: MMs01573621 |
Type: Neutral Formula: C23H28N2O5
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Potential Energy Epot(MMFF94)=89.7524 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 412.486 g/mol | logS: -6.00934 | SlogP: 3.93802 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0278683 | Sterimol/B1: 2.45547 | Sterimol/B2: 3.42041 | Sterimol/B3: 4.50026 | |||
Sterimol/B4: 8.29208 | Sterimol/L: 23.0715 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 737.265 | Positive charged surface: 459.912 | Negative charged surface: 277.354 | Volume: 401.25 | |||
Hydrophobic surface: 577.482 | Hydrophilic surface: 159.783 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | 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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