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NCID-ZINC04403526 |
MMsINC code: MMs02384769 |
Type: Ionized Formula: C24H37N2O9S+
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Potential Energy Epot(MMFF94)=125.24 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 529.631 g/mol | logS: -3.02943 | SlogP: -1.7134 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.183726 | Sterimol/B1: 5.06688 | Sterimol/B2: 6.12756 | Sterimol/B3: 6.26373 | |||
Sterimol/B4: 7.54804 | Sterimol/L: 19.4482 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 808.768 | Positive charged surface: 579.347 | Negative charged surface: 229.421 | Volume: 486.375 | |||
Hydrophobic surface: 565.437 | Hydrophilic surface: 243.331 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 8 | Acid groups: 0 | Basic groups: 1 | |||
Chiral centers: 8 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 3 | Oprea's lead like rule: 0 |
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