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PUBCHEM-ZINC03016194 |
MMsINC code: MMs02980102 |
Type: Neutral Formula: C17H23N3O7S
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Potential Energy Epot(MMFF94)=107.179 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 413.451 g/mol | logS: -2.59437 | SlogP: -0.5528 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.110615 | Sterimol/B1: 2.34323 | Sterimol/B2: 4.11287 | Sterimol/B3: 4.44372 | |||
Sterimol/B4: 9.87081 | Sterimol/L: 17.7168 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 641.892 | Positive charged surface: 471.491 | Negative charged surface: 170.402 | Volume: 353.875 | |||
Hydrophobic surface: 482.77 | Hydrophilic surface: 159.122 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 7 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
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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