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NCID-ZINC05706782 |
MMsINC code: MMs02487537 |
Type: Ionized Formula: C16H21N2O6S-
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Potential Energy Epot(MMFF94)=31.6405 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 369.418 g/mol | logS: -3.0278 | SlogP: -0.4721 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0686208 | Sterimol/B1: 2.45638 | Sterimol/B2: 3.71553 | Sterimol/B3: 3.74502 | |||
Sterimol/B4: 10.4582 | Sterimol/L: 17.2937 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 648.977 | Positive charged surface: 366.543 | Negative charged surface: 282.435 | Volume: 336.5 | |||
Hydrophobic surface: 409.819 | Hydrophilic surface: 239.158 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 2 | 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: 1 |
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