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NCID-ZINC05028454 |
MMsINC code: MMs02429649 |
Type: Neutral Formula: C23H26N4O11S
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Potential Energy Epot(MMFF94)=117.015 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 566.544 g/mol | logS: -5.0602 | SlogP: -0.68788 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.045717 | Sterimol/B1: 2.43652 | Sterimol/B2: 3.31932 | Sterimol/B3: 4.38669 | |||
Sterimol/B4: 11.5505 | Sterimol/L: 22.853 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 859.786 | Positive charged surface: 501.744 | Negative charged surface: 358.043 | Volume: 476.75 | |||
Hydrophobic surface: 538.837 | Hydrophilic surface: 320.949 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 7 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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