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NCID-ZINC05368456 |
MMsINC code: MMs02454807 |
Type: Neutral Formula: C15H23N3O5S
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Potential Energy Epot(MMFF94)=27.1498 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 357.431 g/mol | logS: -2.5095 | SlogP: -0.3181 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0593447 | Sterimol/B1: 2.28167 | Sterimol/B2: 3.59772 | Sterimol/B3: 4.07325 | |||
Sterimol/B4: 8.95898 | Sterimol/L: 17.9811 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 638.638 | Positive charged surface: 427.35 | Negative charged surface: 211.287 | Volume: 323.75 | |||
Hydrophobic surface: 359.588 | Hydrophilic surface: 279.05 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | 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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