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PUBCHEM-ZINC05888606 |
MMsINC code: MMs03430448 |
Type: Ionized Formula: C17H33N6O3S+
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Potential Energy Epot(MMFF94)=-31.9984 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 401.556 g/mol | logS: -4.09621 | SlogP: -2.3443 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.03647 | Sterimol/B1: 3.7432 | Sterimol/B2: 3.79251 | Sterimol/B3: 3.79868 | |||
Sterimol/B4: 6.66047 | Sterimol/L: 22.1426 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 738.788 | Positive charged surface: 543.874 | Negative charged surface: 194.914 | Volume: 392.125 | |||
Hydrophobic surface: 414.05 | Hydrophilic surface: 324.738 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 3 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
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