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NCID-ZINC05722843 |
MMsINC code: MMs02489649 |
Type: Ionized Formula: C20H31O5S-
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Potential Energy Epot(MMFF94)=84.169 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 383.529 g/mol | logS: -5.49603 | SlogP: 3.4031 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.106203 | Sterimol/B1: 2.06798 | Sterimol/B2: 4.13566 | Sterimol/B3: 4.3999 | |||
Sterimol/B4: 5.43197 | Sterimol/L: 17.7437 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 582.877 | Positive charged surface: 363.907 | Negative charged surface: 218.969 | Volume: 360.375 | |||
Hydrophobic surface: 381.758 | Hydrophilic surface: 201.119 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 3 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
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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