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PUBCHEM-ZINC06546889 |
MMsINC code: MMs03790121 |
Type: Neutral Formula: C23H35N3O7S
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Potential Energy Epot(MMFF94)=108.492 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 497.613 g/mol | logS: -4.56315 | SlogP: 1.74517 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0760321 | Sterimol/B1: 3.90867 | Sterimol/B2: 6.42064 | Sterimol/B3: 6.50728 | |||
Sterimol/B4: 6.90306 | Sterimol/L: 21.0126 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 821.733 | Positive charged surface: 532.12 | Negative charged surface: 289.613 | Volume: 470.25 | |||
Hydrophobic surface: 517.917 | Hydrophilic surface: 303.816 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
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